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

C37H44F6N8O — CID 160922648

IUPAC1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine
SMILESCCO.FC(F)(F)CN1CCN(c2cccc(N=C(c3ccccc3)c3ccccc3)n2)CC1.Nc1cccc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C24H23F3N4.C11H15F3N4.C2H6O/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;12-11(13,14)8-17-4-6-18(7-5-17)10-3-1-2-9(15)16-10;1-2-3/h1-13H,14-18H2;1-3H,4-8H2,(H2,15,16);3H,2H2,1H3
InChIKeySSFQYZTVURILTQ-UHFFFAOYSA-N
MW730.80 g/mol
LogP6.28
Rot. Bonds7

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

1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine (PubChem CID 160922648) has the molecular formula C37H44F6N8O and a molecular weight of 730.80 g/mol. Its IUPAC name is 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine
PubChem CID160922648
Molecular FormulaC37H44F6N8O
Molecular Weight730.80 g/mol
Exact Mass730.35
IUPAC Name1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine
SMILESCCO.FC(F)(F)CN1CCN(c2cccc(N=C(c3ccccc3)c3ccccc3)n2)CC1.Nc1cccc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C24H23F3N4.C11H15F3N4.C2H6O/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;12-11(13,14)8-17-4-6-18(7-5-17)10-3-1-2-9(15)16-10;1-2-3/h1-13H,14-18H2;1-3H,4-8H2,(H2,15,16);3H,2H2,1H3
InChIKeySSFQYZTVURILTQ-UHFFFAOYSA-N
XLogP6.28
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.80
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine with MolForge

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridin-2-yl]-1,1-diphenylmethanimine
CID 90029112
2-[4-[6-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 118190617
1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-yl]methanimine
CID 118961179
N-[4-methyl-6-[2-[4-methyl-6-[[4-(2-morpholin-4-ylethyl)piperazine-1-carbothioyl]amino]pyridin-2-yl]ethyl]pyridin-2-yl]-3-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbothioamide
CID 134437939
N-[6-[2-[6-[(4-benzylpiperazine-1-carbothioyl)amino]-4-methylpyridin-2-yl]ethyl]-4-methylpyridin-2-yl]-3-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbothioamide
CID 134437943
[[5-Fluoro-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]-[2-[6-[7-[2-[[hydroxy-(2,3,4-trifluoroanilino)methyl]amino]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethylamino]methanol
CID 143998048
[(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol
CID 151636910
[(2R)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol
CID 151636911
2-[2-(Dimethylamino)-6-methyl-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrido[2,3-b]pyrazin-6-ol
CID 155007028
1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine;diphenylmethanimine;1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine
CID 157538871
6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridin-2-amine;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine
CID 158702986
carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 159404048

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;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine (CID 160922648) is 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine is CCO.FC(F)(F)CN1CCN(c2cccc(N=C(c3ccccc3)c3ccccc3)n2)CC1.Nc1cccc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is SSFQYZTVURILTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4.C11H15F3N4.C2H6O/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;12-11(13,14)8-17-4-6-18(7-5-17)10-3-1-2-9(15)16-10;1-2-3/h1-13H,14-18H2;1-3H,4-8H2,(H2,15,16);3H,2H2,1H3.
What are the key properties of 1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine?
1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 730.80 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 160922648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).