benzyl 3-aminopiperidine-1-carboxylate hydrochloride

• ChemBase ID: 74253
• Molecular Formular: C13H19ClN2O2
• Molecular Mass: 270.75516
• Monoisotopic Mass: 270.11350554
• SMILES: O(Cc1ccccc1)C(=O)N1CC(CCC1)N.Cl
• Canonical SMILES: NC1CCCN(C1)C(=O)OCc1ccccc1.Cl
• InChI: InChI=1S/C13H18N2O2.ClH/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H
• InChIKey: ODSBVOIXQVBLEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 3-aminopiperidine-1-carboxylate hydrochloride
• IUPAC Traditional name: benzyl 3-aminopiperidine-1-carboxylate hydrochloride
• Synonyms: Benzyl 3-aminopiperidine-1-carboxylate hydrochloride; 3-Amino-1-benzyloxycarbonylpiperidine hydrochloride; 3-Aminopiperidine hydrochloride, N1-CBZ protected

Database IDs

• MDL Number: MFCD04038445
• PubChem SID: 162039172
• PubChem CID: 17750333

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5497313
• LogD (pH = 7.4): -0.5463482
• Log P: 1.4294088
• Molar Refractivity: 65.6565 cm^3
• Polarizability: 25.9112 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant