2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile

C18H19N3O — CID 56810521

IUPAC2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H19N3O/c19-13-16-7-4-10-20-18(16)21-11-8-17(9-12-21)22-14-15-5-2-1-3-6-15/h1-7,10,17H,8-9,11-12,14H2
InChIKeyWJCMZIMAKDMWHW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile

2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 56810521) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID56810521
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H19N3O/c19-13-16-7-4-10-20-18(16)21-11-8-17(9-12-21)22-14-15-5-2-1-3-6-15/h1-7,10,17H,8-9,11-12,14H2
InChIKeyWJCMZIMAKDMWHW-UHFFFAOYSA-N
XLogP3.14
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile (CID 56810521) is 2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is WJCMZIMAKDMWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c19-13-16-7-4-10-20-18(16)21-11-8-17(9-12-21)22-14-15-5-2-1-3-6-15/h1-7,10,17H,8-9,11-12,14H2.
What are the key properties of 2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile?
2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxypiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56810521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).