1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride

C32H39ClN2O2 — CID 67638719

IUPAC1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride
SMILESCCC(C(=O)N1CCC(N2CCC(O)(c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C32H38N2O2.ClH/c1-2-32(27-14-8-4-9-15-27,28-16-10-5-11-17-28)30(35)34-22-18-29(19-23-34)33-24-20-31(36,21-25-33)26-12-6-3-7-13-26;/h3-17,29,36H,2,18-25H2,1H3;1H
InChIKeyJPIDFYOTYAYBKP-UHFFFAOYSA-N
MW519.13 g/mol
LogP5.78
Rot. Bonds6

About 1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride

1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride (PubChem CID 67638719) has the molecular formula C32H39ClN2O2 and a molecular weight of 519.13 g/mol. Its IUPAC name is 1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride
PubChem CID67638719
Molecular FormulaC32H39ClN2O2
Molecular Weight519.13 g/mol
Exact Mass518.27
IUPAC Name1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride
SMILESCCC(C(=O)N1CCC(N2CCC(O)(c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C32H38N2O2.ClH/c1-2-32(27-14-8-4-9-15-27,28-16-10-5-11-17-28)30(35)34-22-18-29(19-23-34)33-24-20-31(36,21-25-33)26-12-6-3-7-13-26;/h3-17,29,36H,2,18-25H2,1H3;1H
InChIKeyJPIDFYOTYAYBKP-UHFFFAOYSA-N
XLogP5.78
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.13
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride
CID 21151547
1-cyclopropyl-4-(4-phenylphenyl)piperidin-4-ol
CID 10493965
4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
CID 91356446
1-cyclopentyl-3-phenylpyrrolidin-3-ol
CID 131904194
4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride
CID 3064357
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 154891797
1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one
CID 963610
4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide
CID 122559873
1-[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 95136716
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139
1-(azocan-1-yl)-2,2-diphenylhexan-1-one
CID 166327388

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride?
The IUPAC name of 1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride (CID 67638719) is 1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride is CCC(C(=O)N1CCC(N2CCC(O)(c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride?
The InChIKey is JPIDFYOTYAYBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2.ClH/c1-2-32(27-14-8-4-9-15-27,28-16-10-5-11-17-28)30(35)34-22-18-29(19-23-34)33-24-20-31(36,21-25-33)26-12-6-3-7-13-26;/h3-17,29,36H,2,18-25H2,1H3;1H.
What are the key properties of 1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride?
1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride has a molecular weight of 519.13 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride is sourced from PubChem (CID 67638719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).