(1-benzylpiperidin-2-yl)methanamine

• ChemBase ID: 261895
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(Cc2ccccc2)C(CN)CCCC1
• Canonical SMILES: NCC1CCCCN1Cc1ccccc1
• InChI: InChI=1S/C13H20N2/c14-10-13-8-4-5-9-15(13)11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14H2
• InChIKey: DKWRQRNCULDABS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzylpiperidin-2-yl)methanamine
• IUPAC Traditional name: (1-benzylpiperidin-2-yl)methanamine
• Synonyms: (1-benzylpiperidin-2-yl)methanamine

Database IDs

• MDL Number: MFCD11131559
• PubChem SID: 164317805
• PubChem CID: 10442925

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.706542
• LogD (pH = 7.4): -0.39380118
• Log P: 2.027792
• Molar Refractivity: 64.3627 cm^3
• Polarizability: 25.60032 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.611

Product Information

• Purity: 95%