1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine

C24H23F3N4 — CID 118961179

IUPAC1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine
SMILESFC(F)(F)CN1CCN(c2cccc(N=C(c3ccccc3)c3ccccc3)n2)CC1
InChIInChI=1S/C24H23F3N4/c25-24(26,27)18-30-14-16-31(17-15-30)22-13-7-12-21(28-22)29-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13H,14-18H2
InChIKeyYWGSTSXEFFKYBC-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.93
Rot. Bonds5

About 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine

1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine (PubChem CID 118961179) has the molecular formula C24H23F3N4 and a molecular weight of 424.47 g/mol. Its IUPAC name is 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine
PubChem CID118961179
Molecular FormulaC24H23F3N4
Molecular Weight424.47 g/mol
Exact Mass424.19
IUPAC Name1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine
SMILESFC(F)(F)CN1CCN(c2cccc(N=C(c3ccccc3)c3ccccc3)n2)CC1
InChIInChI=1S/C24H23F3N4/c25-24(26,27)18-30-14-16-31(17-15-30)22-13-7-12-21(28-22)29-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13H,14-18H2
InChIKeyYWGSTSXEFFKYBC-UHFFFAOYSA-N
XLogP4.93
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine?
The IUPAC name of 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine (CID 118961179) is 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine.
What is the SMILES notation for 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine?
The canonical SMILES for 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine is FC(F)(F)CN1CCN(c2cccc(N=C(c3ccccc3)c3ccccc3)n2)CC1.
What is the InChIKey of 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine?
The InChIKey is YWGSTSXEFFKYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4/c25-24(26,27)18-30-14-16-31(17-15-30)22-13-7-12-21(28-22)29-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13H,14-18H2.
What are the key properties of 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine?
1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine has a molecular weight of 424.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine is sourced from PubChem (CID 118961179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).