1-(piperidine-1-carbonyl)-6-azaspiro[2.5]octane hydrochloride

• ChemBase ID: 246426
• Molecular Formular: C13H23ClN2O
• Molecular Mass: 258.78752
• Monoisotopic Mass: 258.14989105
• SMILES: C1(C2(C1)CCNCC2)C(=O)N1CCCCC1.Cl
• Canonical SMILES: O=C(C1CC21CCNCC2)N1CCCCC1.Cl
• InChI: InChI=1S/C13H22N2O.ClH/c16-12(15-8-2-1-3-9-15)11-10-13(11)4-6-14-7-5-13;/h11,14H,1-10H2;1H
• InChIKey: QZZDIWDGZGMELO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-1-carbonyl)-6-azaspiro[2.5]octane hydrochloride
• IUPAC Traditional name: 1-(piperidine-1-carbonyl)-6-azaspiro[2.5]octane hydrochloride
• Synonyms: 1-(piperidine-1-carbonyl)-6-azaspiro[2.5]octane hydrochloride

Database IDs

• PubChem SID: 164302336
• PubChem CID: 71757991

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7257597
• LogD (pH = 7.4): -2.039836
• Log P: 0.49434814
• Molar Refractivity: 64.0544 cm^3
• Polarizability: 25.220663 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): 0.137

Product Information

• Purity: 95%