1-butylpiperidin-4-amine dihydrochloride

• ChemBase ID: 259211
• Molecular Formular: C9H22Cl2N2
• Molecular Mass: 229.19038
• Monoisotopic Mass: 228.11600407
• SMILES: N1(CCC(CC1)N)CCCC.Cl.Cl
• Canonical SMILES: CCCCN1CCC(CC1)N.Cl.Cl
• InChI: InChI=1S/C9H20N2.2ClH/c1-2-3-6-11-7-4-9(10)5-8-11;;/h9H,2-8,10H2,1H3;2*1H
• InChIKey: DGFMOPRJMDUUTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-butylpiperidin-4-amine dihydrochloride
• Synonyms: 1-butylpiperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD11857989
• PubChem SID: 164315121
• PubChem CID: 12262821

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.3997984
• LogD (pH = 7.4): -3.4554152
• Log P: 0.72524625
• Molar Refractivity: 49.2435 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 258 - 260°C
• Hydrophobicity(logP): 0.981

Product Information

• Purity: 95%