N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine

C24H23F3N4 — CID 90029112

IUPACN-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine
SMILESCN1CCN(c2cc(C(F)(F)F)cc(N=C(c3ccccc3)c3ccccc3)n2)CC1
InChIInChI=1S/C24H23F3N4/c1-30-12-14-31(15-13-30)22-17-20(24(25,26)27)16-21(28-22)29-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3
InChIKeyDDVSXTZMGZBVOT-UHFFFAOYSA-N
MW424.47 g/mol
LogP5.02
Rot. Bonds4

About N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine

N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine (PubChem CID 90029112) has the molecular formula C24H23F3N4 and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine
PubChem CID90029112
Molecular FormulaC24H23F3N4
Molecular Weight424.47 g/mol
Exact Mass424.19
IUPAC NameN-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine
SMILESCN1CCN(c2cc(C(F)(F)F)cc(N=C(c3ccccc3)c3ccccc3)n2)CC1
InChIInChI=1S/C24H23F3N4/c1-30-12-14-31(15-13-30)22-17-20(24(25,26)27)16-21(28-22)29-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3
InChIKeyDDVSXTZMGZBVOT-UHFFFAOYSA-N
XLogP5.02
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 55.02
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 N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine (CID 90029112) is N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine is CN1CCN(c2cc(C(F)(F)F)cc(N=C(c3ccccc3)c3ccccc3)n2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine?
The InChIKey is DDVSXTZMGZBVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4/c1-30-12-14-31(15-13-30)22-17-20(24(25,26)27)16-21(28-22)29-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3.
What are the key properties of N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine?
N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine has a molecular weight of 424.47 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 90029112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).