N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine dihydrochloride

• ChemBase ID: 276473
• Molecular Formular: C11H24Cl2N2O
• Molecular Mass: 271.22706
• Monoisotopic Mass: 270.12656876
• SMILES: N1(CC2COCC2)CCC(CC1)NC.Cl.Cl
• Canonical SMILES: CNC1CCN(CC1)CC1COCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-12-11-2-5-13(6-3-11)8-10-4-7-14-9-10;;/h10-12H,2-9H2,1H3;2*1H
• InChIKey: FLPYLCWGLZCIRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19382200
• PubChem SID: 164332383
• PubChem CID: 54594204

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.059262
• LogD (pH = 7.4): -4.007322
• Log P: -0.14729744
• Molar Refractivity: 58.7382 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 262 - 264°C
• Hydrophobicity(logP): -0.808

Product Information

• Purity: 95%