1-benzoyl-N-methylpiperidin-4-amine

• ChemBase ID: 268786
• Molecular Formular: C13H18N2O
• Molecular Mass: 218.29482
• Monoisotopic Mass: 218.14191321
• SMILES: C(=O)(N1CCC(CC1)NC)c1ccccc1
• Canonical SMILES: CNC1CCN(CC1)C(=O)c1ccccc1
• InChI: InChI=1S/C13H18N2O/c1-14-12-7-9-15(10-8-12)13(16)11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3
• InChIKey: FJOZONKRMICPLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzoyl-N-methylpiperidin-4-amine
• IUPAC Traditional name: 1-benzoyl-N-methylpiperidin-4-amine
• Synonyms: 1-benzoyl-N-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD12154837
• PubChem SID: 164324696
• PubChem CID: 50989054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3171432
• LogD (pH = 7.4): -1.8757926
• Log P: 0.91499645
• Molar Refractivity: 65.0862 cm^3
• Polarizability: 25.008524 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.041

Product Information

• Purity: 95%