3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one

C22H26N2O2 — CID 86959079

IUPAC3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one
SMILESO=C1C(N2CCC(c3ccc(O)cc3)CC2)CCCN1c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-20-10-8-17(9-11-20)18-12-15-23(16-13-18)21-7-4-14-24(22(21)26)19-5-2-1-3-6-19/h1-3,5-6,8-11,18,21,25H,4,7,12-16H2
InChIKeyOUKJPHFLSHZDAV-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.77
Rot. Bonds3

About 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one

3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one (PubChem CID 86959079) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one
PubChem CID86959079
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one
SMILESO=C1C(N2CCC(c3ccc(O)cc3)CC2)CCCN1c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-20-10-8-17(9-11-20)18-12-15-23(16-13-18)21-7-4-14-24(22(21)26)19-5-2-1-3-6-19/h1-3,5-6,8-11,18,21,25H,4,7,12-16H2
InChIKeyOUKJPHFLSHZDAV-UHFFFAOYSA-N
XLogP3.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(3R,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-1-phenylpiperidin-2-one
CID 124856267
(3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one
CID 146175578
(3R)-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 97317129
(3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one
CID 146175588
N,N-dimethyl-2-[4-[(3R)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide
CID 97317126
(3S)-1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 130429146
N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide
CID 97344150
3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119323770
2-(4-phenylpiperidin-1-yl)cyclohexan-1-one
CID 15925759
(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
CID 67060834
1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one
CID 111380901
2-phenyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944954

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one?
The IUPAC name of 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one (CID 86959079) is 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one is O=C1C(N2CCC(c3ccc(O)cc3)CC2)CCCN1c1ccccc1.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one?
The InChIKey is OUKJPHFLSHZDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-20-10-8-17(9-11-20)18-12-15-23(16-13-18)21-7-4-14-24(22(21)26)19-5-2-1-3-6-19/h1-3,5-6,8-11,18,21,25H,4,7,12-16H2.
What are the key properties of 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one?
3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one has a molecular weight of 350.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one is sourced from PubChem (CID 86959079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).