tert-butyl N-[3-phenyl-2-(piperidin-2-yl)propyl]carbamate

• ChemBase ID: 274521
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: C(=O)(NCC(C1NCCCC1)Cc1ccccc1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCC(C1CCCCN1)Cc1ccccc1
• InChI: InChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-14-16(17-11-7-8-12-20-17)13-15-9-5-4-6-10-15/h4-6,9-10,16-17,20H,7-8,11-14H2,1-3H3,(H,21,22)
• InChIKey: NQRUYCVWCPVFIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[3-phenyl-2-(piperidin-2-yl)propyl]carbamate
• IUPAC Traditional name: tert-butyl N-[3-phenyl-2-(piperidin-2-yl)propyl]carbamate
• Synonyms: tert-butyl N-[3-phenyl-2-(piperidin-2-yl)propyl]carbamate

Database IDs

• MDL Number: MFCD18838853
• PubChem SID: 164330431
• PubChem CID: 54593214

CALCULATED PROPERTIES

• Acid pKa: 15.819167
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.30339816
• LogD (pH = 7.4): 0.87478095
• Log P: 3.5300243
• Molar Refractivity: 93.3062 cm^3
• Polarizability: 36.972122 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.19

Product Information

• Purity: 95%