3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

C20H22Cl2FNO — CID 45263205

IUPAC3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1ccc(F)cc1
InChIInChI=1S/C20H21ClFNO.ClH/c21-16-5-3-15(4-6-16)20(24)11-18-9-10-19(12-20)23(18)13-14-1-7-17(22)8-2-14;/h1-8,18-19,24H,9-13H2;1H
InChIKeyGPXAEWNZUAWATD-UHFFFAOYSA-N
MW382.31 g/mol
LogP4.92
Rot. Bonds3

About 3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (PubChem CID 45263205) has the molecular formula C20H22Cl2FNO and a molecular weight of 382.31 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
PubChem CID45263205
Molecular FormulaC20H22Cl2FNO
Molecular Weight382.31 g/mol
Exact Mass381.11
IUPAC Name3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1ccc(F)cc1
InChIInChI=1S/C20H21ClFNO.ClH/c21-16-5-3-15(4-6-16)20(24)11-18-9-10-19(12-20)23(18)13-14-1-7-17(22)8-2-14;/h1-8,18-19,24H,9-13H2;1H
InChIKeyGPXAEWNZUAWATD-UHFFFAOYSA-N
XLogP4.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (CID 45263205) is 3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is Cl.OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The InChIKey is GPXAEWNZUAWATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO.ClH/c21-16-5-3-15(4-6-16)20(24)11-18-9-10-19(12-20)23(18)13-14-1-7-17(22)8-2-14;/h1-8,18-19,24H,9-13H2;1H.
What are the key properties of 3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride has a molecular weight of 382.31 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is sourced from PubChem (CID 45263205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).