4-(pentyloxy)piperidine hydrochloride

• ChemBase ID: 47114
• Molecular Formular: C10H22ClNO
• Molecular Mass: 207.74078
• Monoisotopic Mass: 207.13899201
• SMILES: N1CCC(CC1)OCCCCC.Cl
• Canonical SMILES: CCCCCOC1CCNCC1.Cl
• InChI: InChI=1S/C10H21NO.ClH/c1-2-3-4-9-12-10-5-7-11-8-6-10;/h10-11H,2-9H2,1H3;1H
• InChIKey: MPJXZNFFNBELLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pentyloxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(pentyloxy)piperidine hydrochloride
• Synonyms: 4-(Pentyloxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560997
• PubChem SID: 162051877
• PubChem CID: 53409936

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6831597
• LogD (pH = 7.4): -0.9947537
• Log P: 1.5367754
• Molar Refractivity: 51.6435 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): 1.54

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%