3-(pent-4-en-1-yloxy)piperidine hydrochloride

• ChemBase ID: 47108
• Molecular Formular: C10H20ClNO
• Molecular Mass: 205.7249
• Monoisotopic Mass: 205.12334195
• SMILES: N1CC(OCCCC=C)CCC1.Cl
• Canonical SMILES: C=CCCCOC1CCCNC1.Cl
• InChI: InChI=1S/C10H19NO.ClH/c1-2-3-4-8-12-10-6-5-7-11-9-10;/h2,10-11H,1,3-9H2;1H
• InChIKey: GVAZHLRMPVCVSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pent-4-en-1-yloxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(pent-4-en-1-yloxy)piperidine hydrochloride
• Synonyms: 3-(4-Pentenyloxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560991
• PubChem SID: 162051871
• PubChem CID: 53409324

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5002534
• LogD (pH = 7.4): -0.5120131
• Log P: 1.6901902
• Molar Refractivity: 51.4668 cm^3
• Polarizability: 20.407072 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false