1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol

C18H20ClFN2O — CID 2766991

IUPAC1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClFN2O/c19-15-3-1-14(2-4-15)18(23)13-21-9-11-22(12-10-21)17-7-5-16(20)6-8-17/h1-8,18,23H,9-13H2
InChIKeyDAEOUNAOCCGKMP-UHFFFAOYSA-N
MW334.82 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol

1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol (PubChem CID 2766991) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
PubChem CID2766991
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClFN2O/c19-15-3-1-14(2-4-15)18(23)13-21-9-11-22(12-10-21)17-7-5-16(20)6-8-17/h1-8,18,23H,9-13H2
InChIKeyDAEOUNAOCCGKMP-UHFFFAOYSA-N
XLogP3.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol (CID 2766991) is 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol is OC(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The InChIKey is DAEOUNAOCCGKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c19-15-3-1-14(2-4-15)18(23)13-21-9-11-22(12-10-21)17-7-5-16(20)6-8-17/h1-8,18,23H,9-13H2.
What are the key properties of 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol has a molecular weight of 334.82 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 2766991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).