1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium

C23H25F3N2+2 — CID 7026401

IUPAC1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium
SMILESFC(F)(F)c1ccc(C[NH+]2CC[NH+](Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H23F3N2/c24-23(25,26)21-10-8-18(9-11-21)16-27-12-14-28(15-13-27)17-20-6-3-5-19-4-1-2-7-22(19)20/h1-11H,12-17H2/p+2
InChIKeyBVNIIQBIBMRWRO-UHFFFAOYSA-P
MW386.46 g/mol
LogP2.34
Rot. Bonds4

About 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium

1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium (PubChem CID 7026401) has the molecular formula C23H25F3N2+2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium
PubChem CID7026401
Molecular FormulaC23H25F3N2+2
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium
SMILESFC(F)(F)c1ccc(C[NH+]2CC[NH+](Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H23F3N2/c24-23(25,26)21-10-8-18(9-11-21)16-27-12-14-28(15-13-27)17-20-6-3-5-19-4-1-2-7-22(19)20/h1-11H,12-17H2/p+2
InChIKeyBVNIIQBIBMRWRO-UHFFFAOYSA-P
XLogP2.34
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium (CID 7026401) is 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium is FC(F)(F)c1ccc(C[NH+]2CC[NH+](Cc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium?
The InChIKey is BVNIIQBIBMRWRO-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H23F3N2/c24-23(25,26)21-10-8-18(9-11-21)16-27-12-14-28(15-13-27)17-20-6-3-5-19-4-1-2-7-22(19)20/h1-11H,12-17H2/p+2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium?
1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium has a molecular weight of 386.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium is sourced from PubChem (CID 7026401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).