1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one

C15H21FN2O2 — CID 110922561

IUPAC1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-15(20)18-9-7-17(8-10-18)11-14(19)12-3-5-13(16)6-4-12/h3-6,14,19H,2,7-11H2,1H3
InChIKeyNVOMEIRCZDJSCG-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.41
Rot. Bonds4

About 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one

1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one (PubChem CID 110922561) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
PubChem CID110922561
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-15(20)18-9-7-17(8-10-18)11-14(19)12-3-5-13(16)6-4-12/h3-6,14,19H,2,7-11H2,1H3
InChIKeyNVOMEIRCZDJSCG-UHFFFAOYSA-N
XLogP1.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.41
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
2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110911555
2-[bis(4-fluorophenyl)methylsulfanyl]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
CID 134132598
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95337967
2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 110889740
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]acetate
CID 32520506
1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one
CID 84595277
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylpiperidine-4-carboxamide
CID 32657544
(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489869
[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 32513873

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one (CID 110922561) is 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CC(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one?
The InChIKey is NVOMEIRCZDJSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-15(20)18-9-7-17(8-10-18)11-14(19)12-3-5-13(16)6-4-12/h3-6,14,19H,2,7-11H2,1H3.
What are the key properties of 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one?
1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one has a molecular weight of 280.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110922561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).