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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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).