1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one

C16H23NO2 — CID 60680696

IUPAC1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)N2CCCC(O)C2)c1
InChIInChI=1S/C16H23NO2/c1-11-6-7-12(2)15(9-11)16(19)13(3)17-8-4-5-14(18)10-17/h6-7,9,13-14,18H,4-5,8,10H2,1-3H3
InChIKeyUJFBJCSNWKUWJA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.33
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one

1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 60680696) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
PubChem CID60680696
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)N2CCCC(O)C2)c1
InChIInChI=1S/C16H23NO2/c1-11-6-7-12(2)15(9-11)16(19)13(3)17-8-4-5-14(18)10-17/h6-7,9,13-14,18H,4-5,8,10H2,1-3H3
InChIKeyUJFBJCSNWKUWJA-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960650
2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62035237
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,5-dimethylphenyl)propan-1-one
CID 115560638
1-(2,5-dimethylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62974335
1-[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 60680101
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2,5-dimethylphenyl)propan-1-one
CID 62062563
1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 62037746
1-[1-(2,4-dimethylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 82026423
1-[1-(2-methoxy-5-methylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 82026424
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 171323393
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
1-(2,5-dimethylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-one
CID 62547330

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one (CID 60680696) is 1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one is Cc1ccc(C)c(C(=O)C(C)N2CCCC(O)C2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is UJFBJCSNWKUWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-6-7-12(2)15(9-11)16(19)13(3)17-8-4-5-14(18)10-17/h6-7,9,13-14,18H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one?
1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 60680696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).