1-methyl-4-[(3,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl]piperazine

• ChemBase ID: 183676
• Molecular Formular: C19H34N2
• Molecular Mass: 290.48666
• Monoisotopic Mass: 290.2721991
• SMILES: C12=C(CC(C(C1)CN1CCN(CC1)C)C)CCCC2(C)C
• Canonical SMILES: CN1CCN(CC1)CC1CC2=C(CC1C)CCCC2(C)C
• InChI: InChI=1S/C19H34N2/c1-15-12-16-6-5-7-19(2,3)18(16)13-17(15)14-21-10-8-20(4)9-11-21/h15,17H,5-14H2,1-4H3
• InChIKey: DNZOJJXQVWDKTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-[(3,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methyl]piperazine
• IUPAC Traditional name: 1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine

Database IDs

• PubChem SID: 164239586
• PubChem CID: 574983

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.24816948
• LogD (pH = 7.4): 1.6773407
• Log P: 3.57587
• Molar Refractivity: 92.4359 cm^3
• Polarizability: 36.40889 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Stereoisomers
• Classification: Rare Derivatives of Natural Compounds