3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one

C21H25NO2 — CID 110024551

IUPAC3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
SMILESCC(O)(CC(=O)N1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-21(24,19-10-6-3-7-11-19)16-20(23)22-14-12-18(13-15-22)17-8-4-2-5-9-17/h2-11,18,24H,12-16H2,1H3
InChIKeyHGWJDGGUAFDOGB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.69
Rot. Bonds4

About 3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one

3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one (PubChem CID 110024551) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
PubChem CID110024551
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
SMILESCC(O)(CC(=O)N1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-21(24,19-10-6-3-7-11-19)16-20(23)22-14-12-18(13-15-22)17-8-4-2-5-9-17/h2-11,18,24H,12-16H2,1H3
InChIKeyHGWJDGGUAFDOGB-UHFFFAOYSA-N
XLogP3.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(4-phenylpiperidin-1-yl)pent-4-en-1-one
CID 72708672
3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110025197
1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025380
1-(3-benzylpyrrolidin-1-yl)-3-hydroxy-3-phenylbutan-1-one
CID 110025511
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 126796221
3-hydroxy-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 110024245
2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]sulfanylacetic acid
CID 104569524
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
2,2-dimethyl-1-(4-phenylpiperidin-1-yl)but-3-en-1-one
CID 139215922
(3R)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 95139906

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
The IUPAC name of 3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one (CID 110024551) is 3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one is CC(O)(CC(=O)N1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
The InChIKey is HGWJDGGUAFDOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-21(24,19-10-6-3-7-11-19)16-20(23)22-14-12-18(13-15-22)17-8-4-2-5-9-17/h2-11,18,24H,12-16H2,1H3.
What are the key properties of 3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one?
3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one has a molecular weight of 323.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 110024551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).