1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

C22H22F3N2+ — CID 6961989

IUPAC1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
SMILESFC(F)(F)c1cccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C22H21F3N2/c23-22(24,25)20-6-3-7-21(15-20)27-12-10-26(11-13-27)16-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,14-15H,10-13,16H2/p+1
InChIKeyQQQLCXVTAFVNLH-UHFFFAOYSA-O
MW371.43 g/mol
LogP3.76
Rot. Bonds3

About 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium (PubChem CID 6961989) has the molecular formula C22H22F3N2+ and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
PubChem CID6961989
Molecular FormulaC22H22F3N2+
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
SMILESFC(F)(F)c1cccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C22H21F3N2/c23-22(24,25)20-6-3-7-21(15-20)27-12-10-26(11-13-27)16-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,14-15H,10-13,16H2/p+1
InChIKeyQQQLCXVTAFVNLH-UHFFFAOYSA-O
XLogP3.76
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 6983028
1-[(4-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 6961950
3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzonitrile
CID 8547871
1-(4-fluorophenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium
CID 6939110
N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8548032
1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 11904585
1-[(5-nitrofuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 7060371
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 7441354
4,5-diphenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione
CID 6960760
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
(2S)-1-(4-fluorophenyl)sulfanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-2-ol
CID 6986717

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium?
The IUPAC name of 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium (CID 6961989) is 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium is FC(F)(F)c1cccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium?
The InChIKey is QQQLCXVTAFVNLH-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21F3N2/c23-22(24,25)20-6-3-7-21(15-20)27-12-10-26(11-13-27)16-17-8-9-18-4-1-2-5-19(18)14-17/h1-9,14-15H,10-13,16H2/p+1.
What are the key properties of 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium?
1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium has a molecular weight of 371.43 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium is sourced from PubChem (CID 6961989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).