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

C14H21FN2O — CID 110900456

IUPAC2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
SMILESCC(c1cccc(F)c1)N1CCN(CCO)CC1
InChIInChI=1S/C14H21FN2O/c1-12(13-3-2-4-14(15)11-13)17-7-5-16(6-8-17)9-10-18/h2-4,11-12,18H,5-10H2,1H3
InChIKeySHWXBLLIXSLEAZ-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.50
Rot. Bonds4

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

2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol (PubChem CID 110900456) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
PubChem CID110900456
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
SMILESCC(c1cccc(F)c1)N1CCN(CCO)CC1
InChIInChI=1S/C14H21FN2O/c1-12(13-3-2-4-14(15)11-13)17-7-5-16(6-8-17)9-10-18/h2-4,11-12,18H,5-10H2,1H3
InChIKeySHWXBLLIXSLEAZ-UHFFFAOYSA-N
XLogP1.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65053931
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine
CID 62774063
5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 94651558
2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol
CID 47520543
2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol
CID 167935408
1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 62645529
3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
CID 68991750
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
2-ethyl-5-[(R)-(3-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294353
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124535818
1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 107519754

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol (CID 110900456) is 2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol is CC(c1cccc(F)c1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol?
The InChIKey is SHWXBLLIXSLEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-12(13-3-2-4-14(15)11-13)17-7-5-16(6-8-17)9-10-18/h2-4,11-12,18H,5-10H2,1H3.
What are the key properties of 2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol?
2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol has a molecular weight of 252.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 110900456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).