1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine

C25H30F6N4O — CID 3051828

IUPAC1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(CCOCN3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)c1
InChIInChI=1S/C25H30F6N4O/c26-24(27,28)20-3-1-5-22(17-20)34-11-7-32(8-12-34)15-16-36-19-33-9-13-35(14-10-33)23-6-2-4-21(18-23)25(29,30)31/h1-6,17-18H,7-16,19H2
InChIKeyLUUWIZSKHJYRGF-UHFFFAOYSA-N
MW516.53 g/mol
LogP4.64
Rot. Bonds7

About 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine

1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine (PubChem CID 3051828) has the molecular formula C25H30F6N4O and a molecular weight of 516.53 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
PubChem CID3051828
Molecular FormulaC25H30F6N4O
Molecular Weight516.53 g/mol
Exact Mass516.23
IUPAC Name1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(CCOCN3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)c1
InChIInChI=1S/C25H30F6N4O/c26-24(27,28)20-3-1-5-22(17-20)34-11-7-32(8-12-34)15-16-36-19-33-9-13-35(14-10-33)23-6-2-4-21(18-23)25(29,30)31/h1-6,17-18H,7-16,19H2
InChIKeyLUUWIZSKHJYRGF-UHFFFAOYSA-N
XLogP4.64
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8547900
1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3841599
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
oxalic acid;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 163332625
5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25073254
1-(4-ethoxybutyl)-2-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine;hydroiodide
CID 111945344
1-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 45260939
methyl N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 70526234

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine (CID 3051828) is 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine is FC(F)(F)c1cccc(N2CCN(CCOCN3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine?
The InChIKey is LUUWIZSKHJYRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F6N4O/c26-24(27,28)20-3-1-5-22(17-20)34-11-7-32(8-12-34)15-16-36-19-33-9-13-35(14-10-33)23-6-2-4-21(18-23)25(29,30)31/h1-6,17-18H,7-16,19H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine?
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine has a molecular weight of 516.53 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine is sourced from PubChem (CID 3051828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).