2-piperidin-1-ylpyridine-3-carbonitrile

C11H13N3 — CID 2763979

IUPAC2-piperidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCCC1
InChIInChI=1S/C11H13N3/c12-9-10-5-4-6-13-11(10)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2
InChIKeyQSVJDHRFGUCEDC-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.94
Rot. Bonds1

About 2-piperidin-1-ylpyridine-3-carbonitrile

2-piperidin-1-ylpyridine-3-carbonitrile (PubChem CID 2763979) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-piperidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-piperidin-1-ylpyridine-3-carbonitrile
PubChem CID2763979
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-piperidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCCC1
InChIInChI=1S/C11H13N3/c12-9-10-5-4-6-13-11(10)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2
InChIKeyQSVJDHRFGUCEDC-UHFFFAOYSA-N
XLogP1.94
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2-piperidin-1-ylpyridine-3-carbonitrile (CID 2763979) is 2-piperidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-piperidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-piperidin-1-ylpyridine-3-carbonitrile is N#Cc1cccnc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylpyridine-3-carbonitrile?
The InChIKey is QSVJDHRFGUCEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-9-10-5-4-6-13-11(10)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2.
What are the key properties of 2-piperidin-1-ylpyridine-3-carbonitrile?
2-piperidin-1-ylpyridine-3-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 2763979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).