4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile

C11H13N3 — CID 55263705

IUPAC4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1[C@@H]1CCCCN1
InChIInChI=1S/C11H13N3/c12-7-9-8-13-6-4-10(9)11-3-1-2-5-14-11/h4,6,8,11,14H,1-3,5H2/t11-/m0/s1
InChIKeyYUGVRQJJQWURDK-NSHDSACASA-N
MW187.25 g/mol
LogP1.77
Rot. Bonds1

About 4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile

4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile (PubChem CID 55263705) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile
PubChem CID55263705
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1[C@@H]1CCCCN1
InChIInChI=1S/C11H13N3/c12-7-9-8-13-6-4-10(9)11-3-1-2-5-14-11/h4,6,8,11,14H,1-3,5H2/t11-/m0/s1
InChIKeyYUGVRQJJQWURDK-NSHDSACASA-N
XLogP1.77
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrrolidin-2-ylpyridine-3-carbonitrile
CID 82411637
2-(3-chloro-4-pyridinyl)azepane
CID 4542495
4-pyrrolidin-3-ylpyridine-3-carbonitrile
CID 115014147
5-piperidin-2-ylpyridine-2-carbonitrile
CID 55271438
4-[(2R)-piperidin-2-yl]furan-3-carbonitrile
CID 130782183
2-hydroxy-3-[(2S)-piperidin-2-yl]benzonitrile
CID 131554616
3-piperidin-2-yl-4-(trifluoromethyl)pyridine
CID 103692989
2,4-difluoro-5-piperidin-2-ylbenzonitrile
CID 117317640
4-phenyl-3-piperidin-2-ylpyridine
CID 115009262
2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile
CID 115030168
2-chloro-3-pyrrolidin-2-ylbenzonitrile
CID 130043692
5-hydroxy-2-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 130632788

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile (CID 55263705) is 4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile is N#Cc1cnccc1[C@@H]1CCCCN1.
What is the InChIKey of 4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile?
The InChIKey is YUGVRQJJQWURDK-NSHDSACASA-N. The full InChI is InChI=1S/C11H13N3/c12-7-9-8-13-6-4-10(9)11-3-1-2-5-14-11/h4,6,8,11,14H,1-3,5H2/t11-/m0/s1.
What are the key properties of 4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile?
4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 55263705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).