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

• ChemBase ID: 274544
• Molecular Formular: C21H34N2O2
• Molecular Mass: 346.50686
• Monoisotopic Mass: 346.26202834
• SMILES: C(=O)(NCC(CC(c1ccccc1)C)C1NCCCC1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCC(C1CCCCN1)CC(c1ccccc1)C
• InChI: InChI=1S/C21H34N2O2/c1-16(17-10-6-5-7-11-17)14-18(19-12-8-9-13-22-19)15-23-20(24)25-21(2,3)4/h5-7,10-11,16,18-19,22H,8-9,12-15H2,1-4H3,(H,23,24)
• InChIKey: YERZZRPSSPYLCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838871
• PubChem SID: 164330454
• PubChem CID: 54593235

CALCULATED PROPERTIES

• Acid pKa: 15.913968
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0277579
• LogD (pH = 7.4): 1.4186873
• Log P: 4.261612
• Molar Refractivity: 102.4558 cm^3
• Polarizability: 40.582798 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.118

Product Information

• Purity: 95%