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Bicarfen

C22H27NO — CID 51382032

💊View drug profile → sequifenadine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-bis(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)(c1ccccc1C)[C@@H]1CN2CCC1CC2
InChIInChI=1S/C22H27NO/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3/t21-/m1/s1
InChIKeyOXDOWGVJMITMJL-OAQYLSRUSA-N
MW321.46 g/mol
LogP3.88
Rot. Bonds3

About Bicarfen

Bicarfen (PubChem CID 51382032) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-bis(2-methylphenyl)methanol.

Molecular Properties

Compound NameBicarfen
PubChem CID51382032
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-bis(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)(c1ccccc1C)[C@@H]1CN2CCC1CC2
InChIInChI=1S/C22H27NO/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3/t21-/m1/s1
InChIKeyOXDOWGVJMITMJL-OAQYLSRUSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Bicarfen?
The IUPAC name of Bicarfen (CID 51382032) is [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-bis(2-methylphenyl)methanol.
What is the SMILES notation for Bicarfen?
The canonical SMILES for Bicarfen is Cc1ccccc1C(O)(c1ccccc1C)[C@@H]1CN2CCC1CC2.
What is the InChIKey of Bicarfen?
The InChIKey is OXDOWGVJMITMJL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27NO/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3/t21-/m1/s1.
What are the key properties of Bicarfen?
Bicarfen has a molecular weight of 321.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Bicarfen is sourced from PubChem (CID 51382032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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