[4-(piperidin-1-yl)oxan-4-yl]methanamine dihydrochloride

• ChemBase ID: 273413
• Molecular Formular: C11H24Cl2N2O
• Molecular Mass: 271.22706
• Monoisotopic Mass: 270.12656876
• SMILES: N1(C2(CCOCC2)CN)CCCCC1.Cl.Cl
• Canonical SMILES: NCC1(CCOCC1)N1CCCCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c12-10-11(4-8-14-9-5-11)13-6-2-1-3-7-13;;/h1-10,12H2;2*1H
• InChIKey: BWWAZMWGEUQJLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(piperidin-1-yl)oxan-4-yl]methanamine dihydrochloride
• IUPAC Traditional name: [4-(piperidin-1-yl)oxan-4-yl]methanamine dihydrochloride
• Synonyms: [4-(piperidin-1-yl)oxan-4-yl]methanamine dihydrochloride

Database IDs

• MDL Number: MFCD18483336
• PubChem SID: 164329323
• PubChem CID: 54592833

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8406448
• LogD (pH = 7.4): -2.6765137
• Log P: 0.1285066
• Molar Refractivity: 58.445 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250 - 252°C
• Hydrophobicity(logP): 0.415

Product Information

• Purity: 95%