2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol

C18H20ClFN2O — CID 2766996

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
SMILESOC(CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O/c19-15-2-1-3-17(12-15)22-10-8-21(9-11-22)13-18(23)14-4-6-16(20)7-5-14/h1-7,12,18,23H,8-11,13H2
InChIKeyGSTJWGMBSGMGDU-UHFFFAOYSA-N
MW334.82 g/mol
LogP3.33
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol

2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol (PubChem CID 2766996) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
PubChem CID2766996
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
SMILESOC(CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O/c19-15-2-1-3-17(12-15)22-10-8-21(9-11-22)13-18(23)14-4-6-16(20)7-5-14/h1-7,12,18,23H,8-11,13H2
InChIKeyGSTJWGMBSGMGDU-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 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol (CID 2766996) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol is OC(CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The InChIKey is GSTJWGMBSGMGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c19-15-2-1-3-17(12-15)22-10-8-21(9-11-22)13-18(23)14-4-6-16(20)7-5-14/h1-7,12,18,23H,8-11,13H2.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)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 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 2766996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).