4-(propan-2-yloxy)piperidine hydrochloride

• ChemBase ID: 47421
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: N1CCC(OC(C)C)CC1.Cl
• Canonical SMILES: CC(OC1CCNCC1)C.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-7(2)10-8-3-5-9-6-4-8;/h7-9H,3-6H2,1-2H3;1H
• InChIKey: AMLQRNZJKHGYQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yloxy)piperidine hydrochloride
• IUPAC Traditional name: 4-isopropoxypiperidine hydrochloride
• Synonyms: 4-Isopropoxypiperidine hydrochloride; 4-(propan-2-yloxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD08752606
• PubChem SID: 162052184
• PubChem CID: 50988098

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6782434
• LogD (pH = 7.4): -1.9898219
• Log P: 0.5416906
• Molar Refractivity: 42.3363 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.262

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%