1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one

C15H22N2O — CID 82071339

IUPAC1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1CCC(=O)c1cccc(N)c1
InChIInChI=1S/C15H22N2O/c1-12-5-2-3-9-17(12)10-8-15(18)13-6-4-7-14(16)11-13/h4,6-7,11-12H,2-3,5,8-10,16H2,1H3
InChIKeyFEJABYLOPLZIJM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.72
Rot. Bonds4

About 1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one

1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 82071339) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID82071339
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1CCC(=O)c1cccc(N)c1
InChIInChI=1S/C15H22N2O/c1-12-5-2-3-9-17(12)10-8-15(18)13-6-4-7-14(16)11-13/h4,6-7,11-12H,2-3,5,8-10,16H2,1H3
InChIKeyFEJABYLOPLZIJM-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-aminophenyl)-3-(2-methylpiperidin-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

1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62629678
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one
CID 62612304
1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794417
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
3-(2-methylpiperidin-1-yl)propanehydrazide
CID 60676133
N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62631068

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one (CID 82071339) is 1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one is CC1CCCCN1CCC(=O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is FEJABYLOPLZIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-2-3-9-17(12)10-8-15(18)13-6-4-7-14(16)11-13/h4,6-7,11-12H,2-3,5,8-10,16H2,1H3.
What are the key properties of 1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 82071339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).