2-(3-methylbutyl)piperidine hydrochloride

• ChemBase ID: 238301
• Molecular Formular: C10H22ClN
• Molecular Mass: 191.74138
• Monoisotopic Mass: 191.14407739
• SMILES: N1C(CCC(C)C)CCCC1.Cl
• Canonical SMILES: CC(CCC1CCCCN1)C.Cl
• InChI: InChI=1S/C10H21N.ClH/c1-9(2)6-7-10-5-3-4-8-11-10;/h9-11H,3-8H2,1-2H3;1H
• InChIKey: BZANHTDZLYAYDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbutyl)piperidine hydrochloride
• IUPAC Traditional name: 2-(3-methylbutyl)piperidine hydrochloride
• Synonyms: 2-(3-methylbutyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD22375370
• PubChem SID: 164294211
• PubChem CID: 71756141

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4630211
• LogD (pH = 7.4): -0.13637842
• Log P: 2.7727416
• Molar Refractivity: 49.5288 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.44

Product Information

• Purity: 95%