1-pyridin-3-ylpiperidine-4-carbonitrile

C11H13N3 — CID 71721220

IUPAC1-pyridin-3-ylpiperidine-4-carbonitrile
SMILESN#CC1CCN(c2cccnc2)CC1
InChIInChI=1S/C11H13N3/c12-8-10-3-6-14(7-4-10)11-2-1-5-13-9-11/h1-2,5,9-10H,3-4,6-7H2
InChIKeyZRHMGGGMELPMOF-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.82
Rot. Bonds1

About 1-pyridin-3-ylpiperidine-4-carbonitrile

1-pyridin-3-ylpiperidine-4-carbonitrile (PubChem CID 71721220) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-pyridin-3-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-pyridin-3-ylpiperidine-4-carbonitrile
PubChem CID71721220
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-pyridin-3-ylpiperidine-4-carbonitrile
SMILESN#CC1CCN(c2cccnc2)CC1
InChIInChI=1S/C11H13N3/c12-8-10-3-6-14(7-4-10)11-2-1-5-13-9-11/h1-2,5,9-10H,3-4,6-7H2
InChIKeyZRHMGGGMELPMOF-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylpiperidine-4-carbonitrile?
The IUPAC name of 1-pyridin-3-ylpiperidine-4-carbonitrile (CID 71721220) is 1-pyridin-3-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-pyridin-3-ylpiperidine-4-carbonitrile?
The canonical SMILES for 1-pyridin-3-ylpiperidine-4-carbonitrile is N#CC1CCN(c2cccnc2)CC1.
What is the InChIKey of 1-pyridin-3-ylpiperidine-4-carbonitrile?
The InChIKey is ZRHMGGGMELPMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-8-10-3-6-14(7-4-10)11-2-1-5-13-9-11/h1-2,5,9-10H,3-4,6-7H2.
What are the key properties of 1-pyridin-3-ylpiperidine-4-carbonitrile?
1-pyridin-3-ylpiperidine-4-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 71721220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).