1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine

C24H26F3N3 — CID 59382174

IUPAC1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFC(F)(F)c1ccccc1CCN1CCN(Cc2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C24H26F3N3/c25-24(26,27)23-9-2-1-7-21(23)10-13-28-14-16-29(17-15-28)19-20-6-5-8-22(18-20)30-11-3-4-12-30/h1-9,11-12,18H,10,13-17,19H2
InChIKeyCFDNGTAISLLAHX-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.86
Rot. Bonds6

About 1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine

1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine (PubChem CID 59382174) has the molecular formula C24H26F3N3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
PubChem CID59382174
Molecular FormulaC24H26F3N3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFC(F)(F)c1ccccc1CCN1CCN(Cc2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C24H26F3N3/c25-24(26,27)23-9-2-1-7-21(23)10-13-28-14-16-29(17-15-28)19-20-6-5-8-22(18-20)30-11-3-4-12-30/h1-9,11-12,18H,10,13-17,19H2
InChIKeyCFDNGTAISLLAHX-UHFFFAOYSA-N
XLogP4.86
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 66985068
1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
CID 141379171
2-bromo-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
CID 19004319
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
4-[(3-fluorophenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 26327517
1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone
CID 59382207
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
CID 59382114
4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbaldehyde
CID 30983366
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194

Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine (CID 59382174) is 1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine is FC(F)(F)c1ccccc1CCN1CCN(Cc2cccc(-n3cccc3)c2)CC1.
What is the InChIKey of 1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is CFDNGTAISLLAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3/c25-24(26,27)23-9-2-1-7-21(23)10-13-28-14-16-29(17-15-28)19-20-6-5-8-22(18-20)30-11-3-4-12-30/h1-9,11-12,18H,10,13-17,19H2.
What are the key properties of 1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 413.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 59382174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).