3,3,5,5-tetramethylpiperidine

• ChemBase ID: 178466
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: C1NCC(CC1(C)C)(C)C
• Canonical SMILES: CC1(C)CNCC(C1)(C)C
• InChI: InChI=1S/C9H19N/c1-8(2)5-9(3,4)7-10-6-8/h10H,5-7H2,1-4H3
• InChIKey: TYNBPDGCJJZXPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,5,5-tetramethylpiperidine
• IUPAC Traditional name: 3,3,5,5-tetramethylpiperidine
• Synonyms: 3,3,5,5-Tetramethylpiperidine

Database IDs

• CAS Number: 1195-56-8
• PubChem SID: 164234376
• PubChem CID: 14979293

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0894985
• LogD (pH = 7.4): -0.6707561
• Log P: 2.143435
• Molar Refractivity: 44.5748 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true