5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride

C28H30Cl2N2O — CID 56972186

IUPAC5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride
SMILESCl.N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29ClN2O.ClH/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24;/h1-6,8-15,32H,7,16-21H2;1H
InChIKeySSZWNUGWOGONQJ-UHFFFAOYSA-N
MW481.47 g/mol
LogP6.34
Rot. Bonds7

About 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride

5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride (PubChem CID 56972186) has the molecular formula C28H30Cl2N2O and a molecular weight of 481.47 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride
PubChem CID56972186
Molecular FormulaC28H30Cl2N2O
Molecular Weight481.47 g/mol
Exact Mass480.17
IUPAC Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride
SMILESCl.N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29ClN2O.ClH/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24;/h1-6,8-15,32H,7,16-21H2;1H
InChIKeySSZWNUGWOGONQJ-UHFFFAOYSA-N
XLogP6.34
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-cyano-4,4-diphenylbutyl)-4-hydroxypiperidin-4-yl]benzonitrile
CID 10789018
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile
CID 102175155
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
CID 154841334
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-(4-hydroxybutyl)urea;hydrochloride
CID 70098155
1-tert-butyl-3-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]urea
CID 11734303
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-(4-hydroxybutyl)urea
CID 10995329
4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]butanoic acid
CID 70100690
6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide
CID 139760876
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-(2-sulfamoylethyl)urea;hydrochloride
CID 70101165
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea
CID 70101097
N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide
CID 70099387

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride?
The IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride (CID 56972186) is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride?
The canonical SMILES for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride is Cl.N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride?
The InChIKey is SSZWNUGWOGONQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O.ClH/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24;/h1-6,8-15,32H,7,16-21H2;1H.
What are the key properties of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride?
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride has a molecular weight of 481.47 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride is sourced from PubChem (CID 56972186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).