1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone

C15H22N2O — CID 55220165

IUPAC1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCCC(CN)C2)c1
InChIInChI=1S/C15H22N2O/c1-12-4-2-5-13(8-12)9-15(18)17-7-3-6-14(10-16)11-17/h2,4-5,8,14H,3,6-7,9-11,16H2,1H3
InChIKeyRKCBUWJUFAXBKN-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.73
Rot. Bonds3

About 1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone

1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 55220165) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID55220165
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCCC(CN)C2)c1
InChIInChI=1S/C15H22N2O/c1-12-4-2-5-13(8-12)9-15(18)17-7-3-6-14(10-16)11-17/h2,4-5,8,14H,3,6-7,9-11,16H2,1H3
InChIKeyRKCBUWJUFAXBKN-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone 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-(aminomethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 119464795
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone
CID 119378819
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 63263153
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
1-[3-(aminomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
CID 119464975
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 120727726

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone (CID 55220165) is 1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCCC(CN)C2)c1.
What is the InChIKey of 1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is RKCBUWJUFAXBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-2-5-13(8-12)9-15(18)17-7-3-6-14(10-16)11-17/h2,4-5,8,14H,3,6-7,9-11,16H2,1H3.
What are the key properties of 1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 55220165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).