1-(piperidin-1-ylmethyl)-6-azaspiro[2.5]octane dihydrochloride

• ChemBase ID: 245630
• Molecular Formular: C13H26Cl2N2
• Molecular Mass: 281.26494
• Monoisotopic Mass: 280.1473042
• SMILES: C12(C(C1)CN1CCCCC1)CCNCC2.Cl.Cl
• Canonical SMILES: C1CCN(CC1)CC1CC21CCNCC2.Cl.Cl
• InChI: InChI=1S/C13H24N2.2ClH/c1-2-8-15(9-3-1)11-12-10-13(12)4-6-14-7-5-13;;/h12,14H,1-11H2;2*1H
• InChIKey: FOTKGPRVTWCSJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-ylmethyl)-6-azaspiro[2.5]octane dihydrochloride
• IUPAC Traditional name: 1-(piperidin-1-ylmethyl)-6-azaspiro[2.5]octane dihydrochloride
• Synonyms: 1-(piperidin-1-ylmethyl)-6-azaspiro[2.5]octane dihydrochloride

Database IDs

• MDL Number: MFCD23144109
• PubChem SID: 164301540
• PubChem CID: 71757757

CALCULATED PROPERTIES

• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.4365063
• LogD (pH = 7.4): -4.1981287
• Log P: 1.2682348
• Molar Refractivity: 64.326 cm^3
• Polarizability: 25.564276 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.756

Product Information

• Purity: 95%