1-({2-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl}methyl)piperidine

• ChemBase ID: 184273
• Molecular Formular: C22H37NO2
• Molecular Mass: 347.53468
• Monoisotopic Mass: 347.28242943
• SMILES: C1(OC(CN2CCCCC2)CO1)C1C(CC(=CC1)CCC=C(C)C)C
• Canonical SMILES: CC(=CCCC1=CCC(C(C1)C)C1OCC(O1)CN1CCCCC1)C
• InChI: InChI=1S/C22H37NO2/c1-17(2)8-7-9-19-10-11-21(18(3)14-19)22-24-16-20(25-22)15-23-12-5-4-6-13-23/h8,10,18,20-22H,4-7,9,11-16H2,1-3H3
• InChIKey: XIHJFMFAIYGPCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({2-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl}methyl)piperidine
• IUPAC Traditional name: 1-({2-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl}methyl)piperidine

Database IDs

• PubChem SID: 164240183
• PubChem CID: 566552

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9182279
• LogD (pH = 7.4): 3.6024826
• Log P: 4.98881
• Molar Refractivity: 106.2059 cm^3
• Polarizability: 41.50962 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Derivatives & analogs of Natural Compounds