4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one

C16H23NO2 — CID 81103900

IUPAC4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
SMILESCC1(O)CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-16(19)9-12-17(13-10-16)11-5-8-15(18)14-6-3-2-4-7-14/h2-4,6-7,19H,5,8-13H2,1H3
InChIKeyKZTHIQYMJSWOOP-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.50
Rot. Bonds5

About 4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one

4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one (PubChem CID 81103900) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
PubChem CID81103900
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
SMILESCC1(O)CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-16(19)9-12-17(13-10-16)11-5-8-15(18)14-6-3-2-4-7-14/h2-4,6-7,19H,5,8-13H2,1H3
InChIKeyKZTHIQYMJSWOOP-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 57153869
2-(4-hydroxy-4-methylazepan-1-yl)-1-phenylethanone
CID 107405289
3-(4-hydroxy-4-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 81103969
1-(4-bromophenyl)-4-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 63567923
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 13277351
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113
3-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylphenyl)propan-1-one
CID 107408651
ethyl 2-(4-chlorophenyl)-2-[4-hydroxy-1-(4-oxo-4-phenylbutyl)piperidin-4-yl]acetate
CID 57297693
1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one
CID 110398563
2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70750468

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one?
The IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one (CID 81103900) is 4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one?
The canonical SMILES for 4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one is CC1(O)CCN(CCCC(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one?
The InChIKey is KZTHIQYMJSWOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(19)9-12-17(13-10-16)11-5-8-15(18)14-6-3-2-4-7-14/h2-4,6-7,19H,5,8-13H2,1H3.
What are the key properties of 4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one?
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one has a molecular weight of 261.36 g/mol, XLogP of 2.50, 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)-1-phenylbutan-1-one is sourced from PubChem (CID 81103900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).