benzyl 2-(aminomethyl)piperidine-1-carboxylate

• ChemBase ID: 293654
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: NCC1N(C(=O)OCc2ccccc2)CCCC1
• Canonical SMILES: NCC1CCCCN1C(=O)OCc1ccccc1
• InChI: InChI=1S/C14H20N2O2/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,15H2
• InChIKey: WCYNFVPSBDRYJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 2-(aminomethyl)piperidine-1-carboxylate
• IUPAC Traditional name: benzyl 2-(aminomethyl)piperidine-1-carboxylate
• Synonyms: 1-Cbz-2-Aminomethylpiperidine

Database IDs

• CAS Number: 811842-18-9
• MDL Number: MFCD03001689
• PubChem SID: 180679185
• PubChem CID: 2756487

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0698072
• LogD (pH = 7.4): 0.116042376
• Log P: 1.8739774
• Molar Refractivity: 70.2575 cm^3
• Polarizability: 27.752748 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%