benzyl 4-aminopiperidine-1-carboxylate hydrochloride

• ChemBase ID: 804958
• Molecular Formular: C13H19ClN2O2
• Molecular Mass: 270.75516
• Monoisotopic Mass: 270.11350554
• SMILES: Cl.C1(CCN(CC1)C(=O)OCc1ccccc1)N
• Canonical SMILES: NC1CCN(CC1)C(=O)OCc1ccccc1.Cl
• InChI: InChI=1S/C13H18N2O2.ClH/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11;/h1-5,12H,6-10,14H2;1H
• InChIKey: JAWUZYQLHIGNMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 4-aminopiperidine-1-carboxylate hydrochloride
• IUPAC Traditional name: benzyl 4-aminopiperidine-1-carboxylate hydrochloride
• Synonyms: 4-AMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCL

Database IDs

• CAS Number: 1159826-41-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0458179
• LogD (pH = 7.4): -1.4768238
• Log P: 0.97200584
• Molar Refractivity: 65.8773 cm^3
• Polarizability: 25.9112 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%