1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one

C15H21NO — CID 43794410

IUPAC1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
SMILESCC1CCCCN1CC(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-13-7-5-6-10-16(13)12-15(17)11-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3
InChIKeyUDUKANHCGUDKLD-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.67
Rot. Bonds4

About 1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one

1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one (PubChem CID 43794410) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
PubChem CID43794410
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
SMILESCC1CCCCN1CC(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-13-7-5-6-10-16(13)12-15(17)11-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3
InChIKeyUDUKANHCGUDKLD-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-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

1-(2-ethylazepan-1-yl)-3-phenylpropan-2-one
CID 113441826
N-methyl-1-(2-oxo-3-phenylpropyl)piperidine-2-carboxamide
CID 62036084
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 55038005
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-(4-methylazepan-1-yl)-3-phenylpropan-2-one
CID 63623746
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362
1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 754137
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
1-(2-oxo-3-phenylpropyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196938
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one (CID 43794410) is 1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one is CC1CCCCN1CC(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one?
The InChIKey is UDUKANHCGUDKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-13-7-5-6-10-16(13)12-15(17)11-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one?
1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 43794410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).