(1-ethylpiperidin-3-yl)methanamine dihydrochloride

• ChemBase ID: 265654
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: N1(CC(CN)CCC1)CC.Cl.Cl
• Canonical SMILES: NCC1CCCN(C1)CC.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-2-10-5-3-4-8(6-9)7-10;;/h8H,2-7,9H2,1H3;2*1H
• InChIKey: NLYYCUOWIFLSBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethylpiperidin-3-yl)methanamine dihydrochloride
• IUPAC Traditional name: (1-ethylpiperidin-3-yl)methanamine dihydrochloride
• Synonyms: (1-ethylpiperidin-3-yl)methanamine dihydrochloride

Database IDs

• MDL Number: MFCD14705815
• PubChem SID: 164321564
• PubChem CID: 47002475

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.433597
• LogD (pH = 7.4): -3.327762
• Log P: 0.2603127
• Molar Refractivity: 44.8377 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 0.542

Product Information

• Purity: 95%