2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one

C13H18N2O — CID 105472763

IUPAC2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one
SMILESCN1CCCC(=O)C1c1ccc(CN)cc1
InChIInChI=1S/C13H18N2O/c1-15-8-2-3-12(16)13(15)11-6-4-10(9-14)5-7-11/h4-7,13H,2-3,8-9,14H2,1H3
InChIKeyMSLRTVHVBXDYBX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.48
Rot. Bonds2

About 2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one

2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one (PubChem CID 105472763) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one
PubChem CID105472763
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one
SMILESCN1CCCC(=O)C1c1ccc(CN)cc1
InChIInChI=1S/C13H18N2O/c1-15-8-2-3-12(16)13(15)11-6-4-10(9-14)5-7-11/h4-7,13H,2-3,8-9,14H2,1H3
InChIKeyMSLRTVHVBXDYBX-UHFFFAOYSA-N
XLogP1.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-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

Deschloroketamine
CID 437168
3-Methyl-2,6-diphenylpiperidin-4-one
CID 568924
2,6-Di(phenyl)-4-piperidone
CID 2828708
Benzedrone
CID 57493771
2'-Oxo-pce
CID 132989542
3,5-Diethyl-2,6-diphenylpiperidin-4-one
CID 2729797
N-cyclohexyl-2-(diethylamino)-2-(4-methylphenyl)acetamide
CID 4206052
2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 6467641
2-Phenyl-2-piperidinoacetamide
CID 51917
Isopentedrone
CID 91710915
Deoxymethoxetamine
CID 157010705
3-Ethyl-2,6-diphenylpiperidin-4-one
CID 2841186

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one (CID 105472763) is 2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one is CN1CCCC(=O)C1c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one?
The InChIKey is MSLRTVHVBXDYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-8-2-3-12(16)13(15)11-6-4-10(9-14)5-7-11/h4-7,13H,2-3,8-9,14H2,1H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one?
2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one has a molecular weight of 218.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one is sourced from PubChem (CID 105472763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).