4-(4-tert-butylphenyl)piperidine hydrochloride

• ChemBase ID: 19441
• Molecular Formular: C15H24ClN
• Molecular Mass: 253.81076
• Monoisotopic Mass: 253.15972745
• SMILES: C(c1ccc(cc1)C1CCNCC1)(C)(C)C.Cl
• Canonical SMILES: CC(c1ccc(cc1)C1CCNCC1)(C)C.Cl
• InChI: InChI=1S/C15H23N.ClH/c1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;/h4-7,13,16H,8-11H2,1-3H3;1H
• InChIKey: SVBRQNCYCDAEGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-tert-butylphenyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(4-tert-butylphenyl)piperidine hydrochloride
• Synonyms: 4-[4-(tert-Butyl)phenyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD11100472
• PubChem SID: 160982748
• PubChem CID: 46735548

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.40089494
• LogD (pH = 7.4): 1.0487756
• Log P: 3.623367
• Molar Refractivity: 70.1449 cm^3
• Polarizability: 27.615595 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false