1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine

C20H23F3N2 — CID 570899

IUPAC1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCc1cccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C20H23F3N2/c1-16-5-4-6-17(13-16)14-24-9-11-25(12-10-24)15-18-7-2-3-8-19(18)20(21,22)23/h2-8,13H,9-12,14-15H2,1H3
InChIKeyPSVANIBMLTVJAC-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.33
Rot. Bonds4

About 1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine

1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 570899) has the molecular formula C20H23F3N2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID570899
Molecular FormulaC20H23F3N2
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCc1cccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C20H23F3N2/c1-16-5-4-6-17(13-16)14-24-9-11-25(12-10-24)15-18-7-2-3-8-19(18)20(21,22)23/h2-8,13H,9-12,14-15H2,1H3
InChIKeyPSVANIBMLTVJAC-UHFFFAOYSA-N
XLogP4.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclizine
CID 6726
Flunarizine
CID 941361
Flunarizine Hydrochloride
CID 5282407
Cyclizine Hydrochloride
CID 6420019
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
1,4-Dibenzylpiperazine
CID 200601
1-(1-Naphthylmethyl)piperazine
CID 701891
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 440630
Cyclizine dihydrochloride
CID 67533
2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3057770
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708
1-(2-(2-Ethylphenyl)-1-phenylethyl)piperazine
CID 44414709

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine (CID 570899) is 1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine is Cc1cccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is PSVANIBMLTVJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2/c1-16-5-4-6-17(13-16)14-24-9-11-25(12-10-24)15-18-7-2-3-8-19(18)20(21,22)23/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 348.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 570899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).