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

C15H21NO2 — CID 103900621

IUPAC1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCC1CCN(C(=O)CCc2ccccc2)CC1O
InChIInChI=1S/C15H21NO2/c1-12-9-10-16(11-14(12)17)15(18)8-7-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyFYYIYMLQRQNZJI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.85
Rot. Bonds3

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

1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one (PubChem CID 103900621) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
PubChem CID103900621
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCC1CCN(C(=O)CCc2ccccc2)CC1O
InChIInChI=1S/C15H21NO2/c1-12-9-10-16(11-14(12)17)15(18)8-7-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyFYYIYMLQRQNZJI-UHFFFAOYSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 103900134
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
1-(4-chloro-3-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 114683070
[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl] acetate
CID 122691367
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107036847
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
1-[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-phenylpropan-1-one
CID 97392673
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 114801409

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one (CID 103900621) is 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one is CC1CCN(C(=O)CCc2ccccc2)CC1O.
What is the InChIKey of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is FYYIYMLQRQNZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-9-10-16(11-14(12)17)15(18)8-7-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3.
What are the key properties of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one?
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 103900621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).