1-(oxolan-3-yl)piperidin-4-amine dihydrochloride

• ChemBase ID: 238499
• Molecular Formular: C9H20Cl2N2O
• Molecular Mass: 243.1739
• Monoisotopic Mass: 242.09526863
• SMILES: N1(CCC(CC1)N)C1CCOC1.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)C1COCC1.Cl.Cl
• InChI: InChI=1S/C9H18N2O.2ClH/c10-8-1-4-11(5-2-8)9-3-6-12-7-9;;/h8-9H,1-7,10H2;2*1H
• InChIKey: WDCZLKSKNMVJNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxolan-3-yl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(oxolan-3-yl)piperidin-4-amine dihydrochloride
• Synonyms: 1-(oxolan-3-yl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD22375400
• PubChem SID: 164294409
• PubChem CID: 71756181

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.127498
• LogD (pH = 7.4): -4.05958
• Log P: -0.6974264
• Molar Refractivity: 48.98 cm^3
• Polarizability: 19.593437 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 269 - 271°C
• Hydrophobicity(logP): -1.045

Product Information

• Purity: 95%