4-methoxypiperidine hydrochloride

• ChemBase ID: 15427
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: C1C(CCNC1)OC.Cl
• Canonical SMILES: COC1CCNCC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-8-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: DMFJRRMECZFOKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxypiperidine hydrochloride
• IUPAC Traditional name: 4-methoxypiperidine hydrochloride
• Synonyms: 4-Methoxypiperidine hydrochloride

Database IDs

• CAS Number: 4045-24-3; 4045-25-4
• MDL Number: MFCD06800959
• PubChem SID: 160978734
• PubChem CID: 11542813

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4516284
• LogD (pH = 7.4): -2.7632382
• Log P: -0.23169237
• Molar Refractivity: 33.1689 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.576

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 96%; 98%