benzyl N-(piperidin-4-yl)carbamate

• ChemBase ID: 70959
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: N1CCC(CC1)NC(=O)OCc1ccccc1
• Canonical SMILES: O=C(NC1CCNCC1)OCc1ccccc1
• InChI: InChI=1S/C13H18N2O2/c16-13(15-12-6-8-14-9-7-12)17-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)
• InChIKey: WWGUAFRTAYMNHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-(piperidin-4-yl)carbamate
• IUPAC Traditional name: benzyl N-(piperidin-4-yl)carbamate
• Synonyms: 4-Cbz-Aminopiperidine

Database IDs

• CAS Number: 182223-54-7
• MDL Number: MFCD04038571
• PubChem SID: 162036667
• PubChem CID: 1514304

CALCULATED PROPERTIES

• Acid pKa: 15.076431
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0392873
• LogD (pH = 7.4): -1.3548914
• Log P: 1.1809102
• Molar Refractivity: 65.7552 cm^3
• Polarizability: 25.9112 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%