1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid

C17H24F4N2O3 — CID 154886052

IUPAC1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCN(CCc2ccccc2F)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23FN2O.C2HF3O2/c1-19-13-12-18-10-8-17(9-11-18)7-6-14-4-2-3-5-15(14)16;3-2(4,5)1(6)7/h2-5H,6-13H2,1H3;(H,6,7)
InChIKeyUAPPNABHIZJSKO-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid

1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid (PubChem CID 154886052) has the molecular formula C17H24F4N2O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
PubChem CID154886052
Molecular FormulaC17H24F4N2O3
Molecular Weight380.38 g/mol
Exact Mass380.17
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCN(CCc2ccccc2F)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23FN2O.C2HF3O2/c1-19-13-12-18-10-8-17(9-11-18)7-6-14-4-2-3-5-15(14)16;3-2(4,5)1(6)7/h2-5H,6-13H2,1H3;(H,6,7)
InChIKeyUAPPNABHIZJSKO-UHFFFAOYSA-N
XLogP2.27
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazinium, 1-(2-(acetyloxy)ethyl)-4-(4,4-bis(4-fluorophenyl)butyl)-1,4-dimethyl-, diiodide
CID 3052026
1-[2-(Acetyloxy)ethyl]-4-[4,4-bis(4-fluorophenyl)butyl]-1,4-dimethylpiperazinediium
CID 1032684
Methyl [4-(4-fluorobenzyl)piperazin-1-yl]acetate
CID 6468810
(2S)-N-[2-(3,5-difluorophenyl)ethyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 28101418
(2S,6R)-4-[2-(3,4-difluorophenyl)ethyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine
CID 138001461
Ethyl [4-(4-fluorobenzyl)piperazin-1-yl]acetate
CID 6464986
Ethyl 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxylate
CID 12679858
ethyl (2S,6R)-6-(3,5-difluorophenyl)-4-ethyl-1-prop-2-enylpiperazine-2-carboxylate
CID 59271943
ethyl (2R,6R)-6-(3,5-difluorophenyl)-4-ethyl-1-prop-2-enylpiperazine-2-carboxylate
CID 59389164
Ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate
CID 70007809
Ethyl 4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxylate
CID 70381953
1-(2-Phenylethyl)piperidine;2,2,2-trifluoroacetic acid
CID 71278451

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid (CID 154886052) is 1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid is COCCN1CCN(CCc2ccccc2F)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is UAPPNABHIZJSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O.C2HF3O2/c1-19-13-12-18-10-8-17(9-11-18)7-6-14-4-2-3-5-15(14)16;3-2(4,5)1(6)7/h2-5H,6-13H2,1H3;(H,6,7).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 380.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).