2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile

C19H21N3 — CID 133406762

IUPAC2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCCC1CCc1ccccc1
InChIInChI=1S/C19H21N3/c20-15-17-9-6-13-21-19(17)22-14-5-4-10-18(22)12-11-16-7-2-1-3-8-16/h1-3,6-9,13,18H,4-5,10-12,14H2
InChIKeyUCILYKWHKFOZKH-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.94
Rot. Bonds4

About 2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile

2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133406762) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID133406762
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCCC1CCc1ccccc1
InChIInChI=1S/C19H21N3/c20-15-17-9-6-13-21-19(17)22-14-5-4-10-18(22)12-11-16-7-2-1-3-8-16/h1-3,6-9,13,18H,4-5,10-12,14H2
InChIKeyUCILYKWHKFOZKH-UHFFFAOYSA-N
XLogP3.94
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62663072
2-(2-phenylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 51313680
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 99714406
2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 166257527
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine
CID 133377119
3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 82817295
3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine
CID 80662154
2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyridin-3-ol
CID 97169524
1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370136
1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide
CID 43183688
2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine
CID 110095085

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 133406762) is 2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCCCC1CCc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is UCILYKWHKFOZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c20-15-17-9-6-13-21-19(17)22-14-5-4-10-18(22)12-11-16-7-2-1-3-8-16/h1-3,6-9,13,18H,4-5,10-12,14H2.
What are the key properties of 2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 291.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133406762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).