4-propoxypiperidine hydrochloride

• ChemBase ID: 290922
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: CCCOC1CCNCC1.Cl
• Canonical SMILES: CCCOC1CCNCC1.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-2-7-10-8-3-5-9-6-4-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: HOTKDJSUABUYSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-propoxypiperidine hydrochloride
• IUPAC Traditional name: 4-propoxypiperidine hydrochloride
• Synonyms: 4-Propoxypiperidine hydrochloride

Database IDs

• CAS Number: 903891-77-0
• PubChem SID: 180676453
• PubChem CID: 11492036

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.572297
• LogD (pH = 7.4): -1.8838911
• Log P: 0.64763796
• Molar Refractivity: 42.4415 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%