1-benzyl-N,3,5-trimethylpiperidin-4-amine

• ChemBase ID: 238391
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: N1(CC(C(C(C1)C)NC)C)Cc1ccccc1
• Canonical SMILES: CNC1C(C)CN(CC1C)Cc1ccccc1
• InChI: InChI=1S/C15H24N2/c1-12-9-17(10-13(2)15(12)16-3)11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3
• InChIKey: WSABCMHCIKCUJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N,3,5-trimethylpiperidin-4-amine
• IUPAC Traditional name: 1-benzyl-N,3,5-trimethylpiperidin-4-amine
• Synonyms: 1-benzyl-N,3,5-trimethylpiperidin-4-amine

Database IDs

• MDL Number: MFCD22375385
• PubChem SID: 164294301
• PubChem CID: 71648089

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.312538
• LogD (pH = 7.4): -1.3554664
• Log P: 2.517048
• Molar Refractivity: 73.5899 cm^3
• Polarizability: 29.294325 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.366

Product Information

• Purity: 95%