4-(3-methylbutoxy)piperidine hydrochloride

• ChemBase ID: 20926
• Molecular Formular: C10H22ClNO
• Molecular Mass: 207.74078
• Monoisotopic Mass: 207.13899201
• SMILES: N1CCC(CC1)OCCC(C)C.Cl
• Canonical SMILES: CC(CCOC1CCNCC1)C.Cl
• InChI: InChI=1S/C10H21NO.ClH/c1-9(2)5-8-12-10-3-6-11-7-4-10;/h9-11H,3-8H2,1-2H3;1H
• InChIKey: XZMOQRCTBDWJBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-methylbutoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(3-methylbutoxy)piperidine hydrochloride
• Synonyms: 4-(Isopentyloxy)piperidine hydrochloride; 4-(3-methylbutoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD09800637
• PubChem SID: 160984233
• PubChem CID: 42948941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8407092
• LogD (pH = 7.4): -1.1523033
• Log P: 1.3792257
• Molar Refractivity: 51.5911 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.41

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%