1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one

C15H21NO2 — CID 81102981

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one
SMILESCC1(O)CCN(CC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-15(18)7-9-16(10-8-15)12-14(17)11-13-5-3-2-4-6-13/h2-6,18H,7-12H2,1H3
InChIKeyUZXKIUZACVYONI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.64
Rot. Bonds4

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one

1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one (PubChem CID 81102981) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one
PubChem CID81102981
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one
SMILESCC1(O)CCN(CC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-15(18)7-9-16(10-8-15)12-14(17)11-13-5-3-2-4-6-13/h2-6,18H,7-12H2,1H3
InChIKeyUZXKIUZACVYONI-UHFFFAOYSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propan-2-one
CID 81103142
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-(4-fluorophenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-2-one
CID 103356858
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-2-phenylacetamide
CID 103358021
1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one
CID 62777093
2-(4-hydroxy-4-methylazepan-1-yl)-1-phenylethanone
CID 107405289
1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one
CID 62967368
1-(4-methylazepan-1-yl)-3-phenylpropan-2-one
CID 63623746
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
CID 62023515
3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
CID 114509764

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one (CID 81102981) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one is CC1(O)CCN(CC(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one?
The InChIKey is UZXKIUZACVYONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(18)7-9-16(10-8-15)12-14(17)11-13-5-3-2-4-6-13/h2-6,18H,7-12H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one?
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 81102981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).