3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one

C16H23NO2 — CID 102966821

IUPAC3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCN1CCC(C)C(O)C1
InChIInChI=1S/C16H23NO2/c1-12-5-3-4-6-14(12)15(18)8-10-17-9-7-13(2)16(19)11-17/h3-6,13,16,19H,7-11H2,1-2H3
InChIKeyDGIJAHIXTJSDNM-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.27
Rot. Bonds4

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

3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one (PubChem CID 102966821) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
PubChem CID102966821
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCN1CCC(C)C(O)C1
InChIInChI=1S/C16H23NO2/c1-12-5-3-4-6-14(12)15(18)8-10-17-9-7-13(2)16(19)11-17/h3-6,13,16,19H,7-11H2,1-2H3
InChIKeyDGIJAHIXTJSDNM-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one
CID 81474781
1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62941183
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-methylphenyl)propan-1-one
CID 82753538
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one
CID 63159990
3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
CID 63482480
1-(2-methylphenyl)-3-(1,4-thiazepan-4-yl)propan-1-one
CID 62630561
4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-(2-methylphenyl)butan-1-one
CID 97356651
2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
CID 63610775
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
CID 63622437
1-(2-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63169034
methyl 2-[[(3S,4R)-3-hydroxy-4-methylpiperidin-1-yl]methyl]benzoate
CID 98870833
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(2-methylphenyl)propan-1-one
CID 63274696

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one (CID 102966821) is 3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one is Cc1ccccc1C(=O)CCN1CCC(C)C(O)C1.
What is the InChIKey of 3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one?
The InChIKey is DGIJAHIXTJSDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-5-3-4-6-14(12)15(18)8-10-17-9-7-13(2)16(19)11-17/h3-6,13,16,19H,7-11H2,1-2H3.
What are the key properties of 3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one?
3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one has a molecular weight of 261.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 102966821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).