2-[(3R)-piperidin-3-yl]benzonitrile

C12H14N2 — CID 93478487

IUPAC2-[(3R)-piperidin-3-yl]benzonitrile
SMILESN#Cc1ccccc1[C@H]1CCCNC1
InChIInChI=1S/C12H14N2/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11/h1-2,4,6,11,14H,3,5,7,9H2/t11-/m0/s1
InChIKeyJKYDDCXPLJPNPZ-NSHDSACASA-N
MW186.26 g/mol
LogP2.03
Rot. Bonds1

About 2-[(3R)-piperidin-3-yl]benzonitrile

2-[(3R)-piperidin-3-yl]benzonitrile (PubChem CID 93478487) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(3R)-piperidin-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[(3R)-piperidin-3-yl]benzonitrile
PubChem CID93478487
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[(3R)-piperidin-3-yl]benzonitrile
SMILESN#Cc1ccccc1[C@H]1CCCNC1
InChIInChI=1S/C12H14N2/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11/h1-2,4,6,11,14H,3,5,7,9H2/t11-/m0/s1
InChIKeyJKYDDCXPLJPNPZ-NSHDSACASA-N
XLogP2.03
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptylbenzonitrile
CID 117288835
2-hydroxy-5-piperidin-3-ylbenzonitrile
CID 84776785
ethane;3-(2-methylphenyl)piperidine
CID 144655647
(3S)-3-(2-tert-butylphenyl)piperidine
CID 118547022
2-[(2S)-azetidin-2-yl]benzonitrile
CID 55278717
5-hydroxy-2-pyrrolidin-3-ylbenzonitrile
CID 130001602
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-(2,3-dichlorophenyl)piperidine
CID 24904244
2-morpholin-2-ylbenzonitrile;hydrochloride
CID 77492763
3-(2-methylsulfonylphenyl)piperidine
CID 82388241
2-cyclohexylbenzonitrile;prop-2-enoic acid
CID 66660132
4-pyrrolidin-3-ylpyridine-3-carbonitrile
CID 115014147

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-piperidin-3-yl]benzonitrile?
The IUPAC name of 2-[(3R)-piperidin-3-yl]benzonitrile (CID 93478487) is 2-[(3R)-piperidin-3-yl]benzonitrile.
What is the SMILES notation for 2-[(3R)-piperidin-3-yl]benzonitrile?
The canonical SMILES for 2-[(3R)-piperidin-3-yl]benzonitrile is N#Cc1ccccc1[C@H]1CCCNC1.
What is the InChIKey of 2-[(3R)-piperidin-3-yl]benzonitrile?
The InChIKey is JKYDDCXPLJPNPZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11/h1-2,4,6,11,14H,3,5,7,9H2/t11-/m0/s1.
What are the key properties of 2-[(3R)-piperidin-3-yl]benzonitrile?
2-[(3R)-piperidin-3-yl]benzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-piperidin-3-yl]benzonitrile is sourced from PubChem (CID 93478487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).