4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one

C13H18N2O — CID 117209405

IUPAC4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one
SMILESCc1ccc(C2CNC(=O)CC2CN)cc1
InChIInChI=1S/C13H18N2O/c1-9-2-4-10(5-3-9)12-8-15-13(16)6-11(12)7-14/h2-5,11-12H,6-8,14H2,1H3,(H,15,16)
InChIKeyKUYBJVOPFULRKP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.17
Rot. Bonds2

About 4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one

4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one (PubChem CID 117209405) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one
PubChem CID117209405
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one
SMILESCc1ccc(C2CNC(=O)CC2CN)cc1
InChIInChI=1S/C13H18N2O/c1-9-2-4-10(5-3-9)12-8-15-13(16)6-11(12)7-14/h2-5,11-12H,6-8,14H2,1H3,(H,15,16)
InChIKeyKUYBJVOPFULRKP-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-5-(4-methylphenyl)piperidin-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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one?
The IUPAC name of 4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one (CID 117209405) is 4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one is Cc1ccc(C2CNC(=O)CC2CN)cc1.
What is the InChIKey of 4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one?
The InChIKey is KUYBJVOPFULRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-2-4-10(5-3-9)12-8-15-13(16)6-11(12)7-14/h2-5,11-12H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one?
4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one is sourced from PubChem (CID 117209405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).