tert-butyl N-[3-phenyl-2-(piperidin-4-yl)propyl]carbamate

• ChemBase ID: 274555
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: C(=O)(NCC(Cc1ccccc1)C1CCNCC1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCC(C1CCNCC1)Cc1ccccc1
• InChI: InChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-14-17(16-9-11-20-12-10-16)13-15-7-5-4-6-8-15/h4-8,16-17,20H,9-14H2,1-3H3,(H,21,22)
• InChIKey: JKZANDMDQIWQAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[3-phenyl-2-(piperidin-4-yl)propyl]carbamate
• IUPAC Traditional name: tert-butyl N-[3-phenyl-2-(piperidin-4-yl)propyl]carbamate
• Synonyms: tert-butyl N-[3-phenyl-2-(piperidin-4-yl)propyl]carbamate

Database IDs

• MDL Number: MFCD18838878
• PubChem SID: 164330465
• PubChem CID: 54593244

CALCULATED PROPERTIES

• Acid pKa: 15.879918
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.04939124
• LogD (pH = 7.4): 0.50629175
• Log P: 3.280958
• Molar Refractivity: 93.6118 cm^3
• Polarizability: 36.97213 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.656

Product Information

• Purity: 95%