N-cyclopropylpiperidin-4-amine dihydrochloride

• ChemBase ID: 278907
• Molecular Formular: C8H18Cl2N2
• Molecular Mass: 213.14792
• Monoisotopic Mass: 212.08470395
• SMILES: C1(CC1)NC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)NC1CC1.Cl.Cl
• InChI: InChI=1S/C8H16N2.2ClH/c1-2-7(1)10-8-3-5-9-6-4-8;;/h7-10H,1-6H2;2*1H
• InChIKey: HOSIQDVATZYWFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: N-cyclopropylpiperidin-4-amine dihydrochloride
• Synonyms: N-cyclopropylpiperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD20233550
• PubChem SID: 164334817
• PubChem CID: 54595034

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.872014
• LogD (pH = 7.4): -3.8175974
• Log P: -0.08355574
• Molar Refractivity: 42.061 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 233 - 235°C
• Hydrophobicity(logP): -0.322

Product Information

• Purity: 95%