7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane

• ChemBase ID: 129721
• Molecular Formular: C12H17N3
• Molecular Mass: 203.28348
• Monoisotopic Mass: 203.14224756
• SMILES: N1CCCC21CCN(C2)c1cnccc1
• Canonical SMILES: c1ccc(cn1)N1CCC2(C1)CCCN2
• InChI: InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2
• InChIKey: NXIPMBQVNTWEEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane
• IUPAC Traditional name: 7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane
• Synonyms: TC-2216

Database IDs

• PubChem SID: 162224010
• PubChem CID: 10176607
• Wikipedia Title: TC-2216

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7173202
• LogD (pH = 7.4): -2.1692624
• Log P: 0.7769819
• Molar Refractivity: 61.0513 cm^3
• Polarizability: 23.533958 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true