8016-5509 Screening compound: 4-(3-methoxyphenyl)-1-methyl-4-piperidinecarbonitrile

8016-5509 Screening compound: 4-(3-methoxyphenyl)-1-methyl-4-piperidinecarbonitrile
8016-5509 Screening compound: 4-(3-methoxyphenyl)-1-methyl-4-piperidinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5509
4-(3-methoxyphenyl)-1-methyl-4-piperidinecarbonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8016-5509

Molecular Formula

C14H18N2O (C14 H18 N2 O)

Compound Name

4-(3-methoxyphenyl)-1-methyl-4-piperidinecarbonitrile

IUPAC name

4-(3-methoxyphenyl)-1-methylpiperidine-4-carbonitrile

SMILES

CN(CC1)CCC1(c1cccc(OC)c1)C#N

InChI

InChI=1S/C14H18N2O/c1-16-8-6-14(11-15,7-9-16)12-4-3-5-13(10-12)17-2/h3-5,10H,6-9H2,1-2H3

InChI Key

COYLNHITVXBZPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.559

Distribution Coefficient, logD

0.216

Water Solubility, LogSw

-1.75

Polar Surface Area

28.236

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8016-5509 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Human Proteases Annotated Library (2868 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-5509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5509?
Check Price and Availability of 8016-5509, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8016-5509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5509
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8016-5509 available by request