N-benzylpiperidin-3-amine

• ChemBase ID: 237059
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1CC(NCc2ccccc2)CCC1
• Canonical SMILES: C1CCC(CN1)NCc1ccccc1
• InChI: InChI=1S/C12H18N2/c1-2-5-11(6-3-1)9-14-12-7-4-8-13-10-12/h1-3,5-6,12-14H,4,7-10H2
• InChIKey: ONMQJOUYBLBFBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylpiperidin-3-amine
• IUPAC Traditional name: N-benzylpiperidin-3-amine
• Synonyms: N-benzylpiperidin-3-amine

Database IDs

• MDL Number: MFCD16066379
• PubChem SID: 164292969
• PubChem CID: 21942046

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.732266
• LogD (pH = 7.4): -0.6485706
• Log P: 1.6327558
• Molar Refractivity: 59.2416 cm^3
• Polarizability: 23.753363 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.918

Product Information

• Purity: 95%