4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile

C22H26N2O — CID 154841334

IUPAC4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
SMILESCC1(O)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c1-21(25)12-15-24(16-13-21)17-14-22(18-23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,25H,12-17H2,1H3
InChIKeyXNBLMQNJSVOJLO-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.73
Rot. Bonds5

About 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile

4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile (PubChem CID 154841334) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
PubChem CID154841334
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
SMILESCC1(O)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c1-21(25)12-15-24(16-13-21)17-14-22(18-23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,25H,12-17H2,1H3
InChIKeyXNBLMQNJSVOJLO-UHFFFAOYSA-N
XLogP3.73
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2,2-diphenylbutanenitrile
CID 133138266
4-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2,2-diphenylbutanenitrile
CID 72858337
4-[4-(N-ethylanilino)-4-prop-1-en-2-ylpiperidin-1-yl]-2,2-diphenylbutanenitrile
CID 89211247
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
CID 161050495
4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile
CID 112799666
4-[1-(4-cyano-4,4-diphenylbutyl)-4-hydroxypiperidin-4-yl]benzonitrile
CID 10789018
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride
CID 56972186
4-(2-methylspiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine]-1'-yl)-2,2-diphenylbutanenitrile;hydrochloride
CID 13476111
butyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;2-methylsulfanylethanol
CID 67627243
bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride
CID 158147093
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile?
The IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile (CID 154841334) is 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile.
What is the SMILES notation for 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile?
The canonical SMILES for 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile is CC1(O)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile?
The InChIKey is XNBLMQNJSVOJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-21(25)12-15-24(16-13-21)17-14-22(18-23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,25H,12-17H2,1H3.
What are the key properties of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile?
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile has a molecular weight of 334.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile is sourced from PubChem (CID 154841334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).