(3S)-1-pyridin-3-ylpiperidine-3-carbonitrile

C11H13N3 — CID 86336417

IUPAC(3S)-1-pyridin-3-ylpiperidine-3-carbonitrile
SMILESN#C[C@H]1CCCN(c2cccnc2)C1
InChIInChI=1S/C11H13N3/c12-7-10-3-2-6-14(9-10)11-4-1-5-13-8-11/h1,4-5,8,10H,2-3,6,9H2/t10-/m1/s1
InChIKeyGCQYMLRBUQHIQF-SNVBAGLBSA-N
MW187.25 g/mol
LogP1.82
Rot. Bonds1

About (3S)-1-pyridin-3-ylpiperidine-3-carbonitrile

(3S)-1-pyridin-3-ylpiperidine-3-carbonitrile (PubChem CID 86336417) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (3S)-1-pyridin-3-ylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-1-pyridin-3-ylpiperidine-3-carbonitrile
PubChem CID86336417
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(3S)-1-pyridin-3-ylpiperidine-3-carbonitrile
SMILESN#C[C@H]1CCCN(c2cccnc2)C1
InChIInChI=1S/C11H13N3/c12-7-10-3-2-6-14(9-10)11-4-1-5-13-8-11/h1,4-5,8,10H,2-3,6,9H2/t10-/m1/s1
InChIKeyGCQYMLRBUQHIQF-SNVBAGLBSA-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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Related Compounds

1-pyridin-3-ylpiperidine-4-carbonitrile
CID 71721220
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
(1-pyridin-3-ylpiperidin-3-yl)methanamine
CID 83818099
1-(4-chlorophenyl)piperidine-3-carbonitrile
CID 117008082
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile
CID 175920749
N-methyl-1-pyridin-3-ylazepan-3-amine
CID 10219904
1-(3-acetylphenyl)piperidine-3-carbonitrile
CID 117008107
1-pyridin-3-ylpyrrolidin-2-amine
CID 54403911
1-(4-propan-2-yloxyphenyl)piperidine-3-carbonitrile
CID 117008100
3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
CID 175933789
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831

Frequently Asked Questions

What is the IUPAC name of (3S)-1-pyridin-3-ylpiperidine-3-carbonitrile?
The IUPAC name of (3S)-1-pyridin-3-ylpiperidine-3-carbonitrile (CID 86336417) is (3S)-1-pyridin-3-ylpiperidine-3-carbonitrile.
What is the SMILES notation for (3S)-1-pyridin-3-ylpiperidine-3-carbonitrile?
The canonical SMILES for (3S)-1-pyridin-3-ylpiperidine-3-carbonitrile is N#C[C@H]1CCCN(c2cccnc2)C1.
What is the InChIKey of (3S)-1-pyridin-3-ylpiperidine-3-carbonitrile?
The InChIKey is GCQYMLRBUQHIQF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N3/c12-7-10-3-2-6-14(9-10)11-4-1-5-13-8-11/h1,4-5,8,10H,2-3,6,9H2/t10-/m1/s1.
What are the key properties of (3S)-1-pyridin-3-ylpiperidine-3-carbonitrile?
(3S)-1-pyridin-3-ylpiperidine-3-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 (3S)-1-pyridin-3-ylpiperidine-3-carbonitrile is sourced from PubChem (CID 86336417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).