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

C19H22ClFN2O — CID 69054072

IUPAC1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClFN2O/c20-17-5-3-16(4-6-17)19(24)14-23-11-9-22(10-12-23)13-15-1-7-18(21)8-2-15/h1-8,19,24H,9-14H2
InChIKeyWIRCEDSHCAKCBL-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.33
Rot. Bonds5

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

1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 69054072) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
PubChem CID69054072
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Name1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClFN2O/c20-17-5-3-16(4-6-17)19(24)14-23-11-9-22(10-12-23)13-15-1-7-18(21)8-2-15/h1-8,19,24H,9-14H2
InChIKeyWIRCEDSHCAKCBL-UHFFFAOYSA-N
XLogP3.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110910508
4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 18552686
4-(4-chlorophenyl)-1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 849886
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 97261025
2-[bis(4-fluorophenyl)methylsulfanyl]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 134152435
1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 134018579
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
CID 34187761
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]acetate
CID 32520506
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol (CID 69054072) is 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol is OC(CN1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is WIRCEDSHCAKCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O/c20-17-5-3-16(4-6-17)19(24)14-23-11-9-22(10-12-23)13-15-1-7-18(21)8-2-15/h1-8,19,24H,9-14H2.
What are the key properties of 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol?
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 348.85 g/mol, XLogP of 3.33, 5 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)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 69054072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).