2-benzyl-2,8-diazaspiro[5.5]undecane dihydrochloride

• ChemBase ID: 144307
• Molecular Formular: C16H26Cl2N2
• Molecular Mass: 317.29704
• Monoisotopic Mass: 316.1473042
• SMILES: c1ccc(cc1)CN1CCCC2(C1)CCCNC2.Cl.Cl
• Canonical SMILES: C1CCC2(CN1)CCCN(C2)Cc1ccccc1.Cl.Cl
• InChI: InChI=1S/C16H24N2.2ClH/c1-2-6-15(7-3-1)12-18-11-5-9-16(14-18)8-4-10-17-13-16;;/h1-3,6-7,17H,4-5,8-14H2;2*1H
• InChIKey: NPMMKYAIZKMXND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-2,8-diazaspiro[5.5]undecane dihydrochloride
• IUPAC Traditional name: 2-benzyl-2,8-diazaspiro[5.5]undecane dihydrochloride
• Synonyms: 2-Benzyl-2,8-diazaspiro[5.5]undecane dihydrochloride

Database IDs

• MDL Number: MFCD13186343
• PubChem SID: 162238522
• PubChem CID: 53398923

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2266574
• LogD (pH = 7.4): -1.023901
• Log P: 2.5239456
• Molar Refractivity: 76.6886 cm^3
• Polarizability: 30.397923 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C16H26Cl2N2

DETAILS

Sigma Aldrich - CBR00976

Other Notes
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