4-(2-methylpropoxy)piperidine hydrochloride

• ChemBase ID: 261428
• Molecular Formular: C9H20ClNO
• Molecular Mass: 193.7142
• Monoisotopic Mass: 193.12334195
• SMILES: N1CCC(OCC(C)C)CC1.Cl
• Canonical SMILES: CC(COC1CCNCC1)C.Cl
• InChI: InChI=1S/C9H19NO.ClH/c1-8(2)7-11-9-3-5-10-6-4-9;/h8-10H,3-7H2,1-2H3;1H
• InChIKey: HTECFPXXOGANPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methylpropoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(2-methylpropoxy)piperidine hydrochloride
• Synonyms: 4-(2-methylpropoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD08689809
• PubChem SID: 164317338
• PubChem CID: 11701187

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2073243
• LogD (pH = 7.4): -1.5189182
• Log P: 1.0126108
• Molar Refractivity: 46.9131 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 0.881

Product Information

• Purity: 95%