(2S,6S)-2-methyl-6-undecylpiperidine hydrochloride

• ChemBase ID: 129577
• Molecular Formular: C17H36ClN
• Molecular Mass: 289.92744
• Monoisotopic Mass: 289.25362784
• SMILES: Cl.N1[C@@H](CCCCCCCCCCC)CCC[C@@H]1C
• Canonical SMILES: CCCCCCCCCCC[C@H]1CCC[C@@H](N1)C.Cl
• InChI: InChI=1S/C17H35N.ClH/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18-17;/h16-18H,3-15H2,1-2H3;1H/t16-,17-;/m0./s1
• InChIKey: SXWAGAKERKJCTR-QJHJCNPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,6S)-2-methyl-6-undecylpiperidine hydrochloride
• IUPAC Traditional name: (2S,6S)-2-methyl-6-undecylpiperidine hydrochloride
• Synonyms: Solenopsin

Database IDs

• PubChem SID: 162223867
• PubChem CID: 16043475
• Chemspider ID: 13172015
• Wikipedia Title: Solenopsin

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7773805
• LogD (pH = 7.4): 3.0605528
• Log P: 6.014278
• Molar Refractivity: 81.606 cm^3
• Polarizability: 32.91508 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false