1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one

C17H25NO — CID 103498907

IUPAC1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-13(2)15-9-11-18(12-10-15)14(3)17(19)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3
InChIKeyFODMAFXLTTYYPY-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.63
Rot. Bonds4

About 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one

1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 103498907) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID103498907
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-13(2)15-9-11-18(12-10-15)14(3)17(19)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3
InChIKeyFODMAFXLTTYYPY-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
2-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 63622992
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
CID 117067726
1-phenyl-2-thiomorpholin-4-ylpropan-1-one
CID 60863276
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one
CID 79174234
2-(4,4-dimethylazepan-1-yl)-1-phenylpropan-1-one
CID 65282863
2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 102960458
2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one
CID 43227828
1-[1-oxo-1-(4-propan-2-ylphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 82026436
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 103498907) is 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one is CC(C)C1CCN(C(C)C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is FODMAFXLTTYYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)15-9-11-18(12-10-15)14(3)17(19)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 103498907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).