4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile

C14H18N2 — CID 125469118

IUPAC4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile
SMILESCC1(C)CCN[C@@H](c2ccc(C#N)cc2)C1
InChIInChI=1S/C14H18N2/c1-14(2)7-8-16-13(9-14)12-5-3-11(10-15)4-6-12/h3-6,13,16H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyDPCYTXMLYSPLPA-CYBMUJFWSA-N
MW214.31 g/mol
LogP3.01
Rot. Bonds1

About 4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile

4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile (PubChem CID 125469118) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile
PubChem CID125469118
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile
SMILESCC1(C)CCN[C@@H](c2ccc(C#N)cc2)C1
InChIInChI=1S/C14H18N2/c1-14(2)7-8-16-13(9-14)12-5-3-11(10-15)4-6-12/h3-6,13,16H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyDPCYTXMLYSPLPA-CYBMUJFWSA-N
XLogP3.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile
CID 168994260
ethane;4-(5-oxopyrrolidin-2-yl)benzonitrile
CID 143222280
4-(7-methyl-1-oxo-1,4-thiazepan-3-yl)benzonitrile
CID 66227383
4-[(2R,5S)-5-methoxypiperidin-2-yl]benzonitrile
CID 125469186
4,4-difluoro-2-phenylpiperidine;ethane
CID 145285471
4-(1,3-thiazinan-2-yl)benzonitrile
CID 66218756
(2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine
CID 175634971
4-(2,6-dimethyl-1,4-dihydropyridin-4-yl)benzonitrile
CID 139926182
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(4-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 18614421
4-(1,3-thiazolidin-2-yl)benzonitrile;hydrochloride
CID 170986640
4-(5-ethyl-5-methyl-1,4-oxazepan-2-yl)benzonitrile
CID 114154375

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile?
The IUPAC name of 4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile (CID 125469118) is 4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile.
What is the SMILES notation for 4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile?
The canonical SMILES for 4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile is CC1(C)CCN[C@@H](c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile?
The InChIKey is DPCYTXMLYSPLPA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2)7-8-16-13(9-14)12-5-3-11(10-15)4-6-12/h3-6,13,16H,7-9H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile?
4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile is sourced from PubChem (CID 125469118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).