2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one

C15H21NO2 — CID 62035237

IUPAC2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N2CCCC(O)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11-5-7-13(8-6-11)15(18)12(2)16-9-3-4-14(17)10-16/h5-8,12,14,17H,3-4,9-10H2,1-2H3
InChIKeyNPHHCUIASGMTLJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.02
Rot. Bonds3

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

2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one (PubChem CID 62035237) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
PubChem CID62035237
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N2CCCC(O)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11-5-7-13(8-6-11)15(18)12(2)16-9-3-4-14(17)10-16/h5-8,12,14,17H,3-4,9-10H2,1-2H3
InChIKeyNPHHCUIASGMTLJ-UHFFFAOYSA-N
XLogP2.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60680696
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-methylphenyl)propan-1-one
CID 79943973
1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66391753
1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 62037746
2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
CID 62036312
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681
4-[1-(4-methylphenyl)-1-oxopropan-2-yl]-1,4-diazepan-2-one
CID 65366728
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110884135
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methylphenyl)propan-1-one
CID 82750049

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one (CID 62035237) is 2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)N2CCCC(O)C2)cc1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
The InChIKey is NPHHCUIASGMTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-7-13(8-6-11)15(18)12(2)16-9-3-4-14(17)10-16/h5-8,12,14,17H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62035237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).