2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile

C21H24N2 — CID 97356110

IUPAC2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile
SMILESN#CC(CC[C@H]1CCCCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2/c22-17-21(18-9-3-1-4-10-18,19-11-5-2-6-12-19)15-14-20-13-7-8-16-23-20/h1-6,9-12,20,23H,7-8,13-16H2/t20-/m1/s1
InChIKeyUYVUZSZALSHURT-HXUWFJFHSA-N
MW304.44 g/mol
LogP4.42
Rot. Bonds5

About 2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile

2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile (PubChem CID 97356110) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile.

Molecular Properties

Compound Name2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile
PubChem CID97356110
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile
SMILESN#CC(CC[C@H]1CCCCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2/c22-17-21(18-9-3-1-4-10-18,19-11-5-2-6-12-19)15-14-20-13-7-8-16-23-20/h1-6,9-12,20,23H,7-8,13-16H2/t20-/m1/s1
InChIKeyUYVUZSZALSHURT-HXUWFJFHSA-N
XLogP4.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 142470178
CID 142470178
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CID 79223210
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CID 22237347
1,1-diphenyl-2-[(2R)-pyrrolidin-2-yl]ethanol
CID 89497125
(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
2,2-diphenyl-2-piperidin-4-ylacetonitrile
CID 21271128
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
CID 24747372
2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol
CID 143395873
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane
CID 101469589

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile?
The IUPAC name of 2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile (CID 97356110) is 2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile.
What is the SMILES notation for 2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile?
The canonical SMILES for 2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile is N#CC(CC[C@H]1CCCCN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile?
The InChIKey is UYVUZSZALSHURT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N2/c22-17-21(18-9-3-1-4-10-18,19-11-5-2-6-12-19)15-14-20-13-7-8-16-23-20/h1-6,9-12,20,23H,7-8,13-16H2/t20-/m1/s1.
What are the key properties of 2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile?
2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile has a molecular weight of 304.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-4-[(2R)-piperidin-2-yl]butanenitrile is sourced from PubChem (CID 97356110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).