1-(piperidin-1-yl)-3-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)propan-2-ol

• ChemBase ID: 182269
• Molecular Formular: C18H33NO2
• Molecular Mass: 295.46012
• Monoisotopic Mass: 295.2511293
• SMILES: C12(C(C(CC1OCC(CN1CCCCC1)O)CC2)(C)C)C
• Canonical SMILES: OC(CN1CCCCC1)COC1CC2C(C1(C)CC2)(C)C
• InChI: InChI=1S/C18H33NO2/c1-17(2)14-7-8-18(17,3)16(11-14)21-13-15(20)12-19-9-5-4-6-10-19/h14-16,20H,4-13H2,1-3H3
• InChIKey: KEELYYKHJSSOCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-yl)-3-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)propan-2-ol
• IUPAC Traditional name: 1-(piperidin-1-yl)-3-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)propan-2-ol

Database IDs

• PubChem SID: 164238179
• PubChem CID: 3814325

CALCULATED PROPERTIES

• Acid pKa: 14.09754
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.36577713
• LogD (pH = 7.4): 1.1908318
• Log P: 2.8712602
• Molar Refractivity: 86.1891 cm^3
• Polarizability: 34.535164 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds