1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium

C19H22F4N2+2 — CID 7473375

IUPAC1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium
SMILESFc1cccc(C[NH+]2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C19H20F4N2/c20-17-6-3-4-15(12-17)13-24-8-10-25(11-9-24)14-16-5-1-2-7-18(16)19(21,22)23/h1-7,12H,8-11,13-14H2/p+2
InChIKeyJLSADJFAJSPCMC-UHFFFAOYSA-P
MW354.39 g/mol
LogP1.33
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium

1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium (PubChem CID 7473375) has the molecular formula C19H22F4N2+2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium
PubChem CID7473375
Molecular FormulaC19H22F4N2+2
Molecular Weight354.39 g/mol
Exact Mass354.17
IUPAC Name1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium
SMILESFc1cccc(C[NH+]2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C19H20F4N2/c20-17-6-3-4-15(12-17)13-24-8-10-25(11-9-24)14-16-5-1-2-7-18(16)19(21,22)23/h1-7,12H,8-11,13-14H2/p+2
InChIKeyJLSADJFAJSPCMC-UHFFFAOYSA-P
XLogP1.33
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium
CID 7027955
2,6-dimethoxy-4-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]methyl]phenol
CID 4755696
1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 2162791
(4-fluorophenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
CID 4753830
1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium
CID 2173520
1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium
CID 5064867
2-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenol
CID 8528521
N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 63535412
2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9293170
1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium
CID 7026401
4-[(3-fluorophenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 26327517
1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium
CID 4755997

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium (CID 7473375) is 1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium is Fc1cccc(C[NH+]2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium?
The InChIKey is JLSADJFAJSPCMC-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H20F4N2/c20-17-6-3-4-15(12-17)13-24-8-10-25(11-9-24)14-16-5-1-2-7-18(16)19(21,22)23/h1-7,12H,8-11,13-14H2/p+2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium?
1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium has a molecular weight of 354.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium is sourced from PubChem (CID 7473375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).