2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile

C21H30N2 — CID 24842565

IUPAC2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
SMILESN#CC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H30N2/c22-18-21(19-10-4-1-5-11-19,20-12-6-2-7-13-20)14-17-23-15-8-3-9-16-23/h1,4-5,10-11,20H,2-3,6-9,12-17H2
InChIKeyNWRGTKZGBYPNQQ-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.90
Rot. Bonds5

About 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile

2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile (PubChem CID 24842565) has the molecular formula C21H30N2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
PubChem CID24842565
Molecular FormulaC21H30N2
Molecular Weight310.48 g/mol
Exact Mass310.24
IUPAC Name2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
SMILESN#CC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H30N2/c22-18-21(19-10-4-1-5-11-19,20-12-6-2-7-13-20)14-17-23-15-8-3-9-16-23/h1,4-5,10-11,20H,2-3,6-9,12-17H2
InChIKeyNWRGTKZGBYPNQQ-UHFFFAOYSA-N
XLogP4.90
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid
CID 24842549
1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine
CID 97466130
1-(4-cyclohexyl-4,5-diphenylpent-2-ynyl)piperidine
CID 91963143
2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 116692329
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-2-yn-1-ol
CID 2835413
2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
CID 23582575
ethyl 3-cyano-3-cyclohexyl-3-phenylpropanoate
CID 22718294
2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 87077411
(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 134856178
1-cyclohexyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 24837075

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile?
The IUPAC name of 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile (CID 24842565) is 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile.
What is the SMILES notation for 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile?
The canonical SMILES for 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile is N#CC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile?
The InChIKey is NWRGTKZGBYPNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c22-18-21(19-10-4-1-5-11-19,20-12-6-2-7-13-20)14-17-23-15-8-3-9-16-23/h1,4-5,10-11,20H,2-3,6-9,12-17H2.
What are the key properties of 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile?
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile has a molecular weight of 310.48 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile is sourced from PubChem (CID 24842565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).