N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine

C18H16Cl2F3N3O — CID 2765006

IUPACN-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine
SMILESFC(F)(F)c1cnc(N2CCC(=NOCc3ccc(Cl)cc3)CC2)c(Cl)c1
InChIInChI=1S/C18H16Cl2F3N3O/c19-14-3-1-12(2-4-14)11-27-25-15-5-7-26(8-6-15)17-16(20)9-13(10-24-17)18(21,22)23/h1-4,9-10H,5-8,11H2
InChIKeyMHYLXERWDUMEGF-UHFFFAOYSA-N
MW418.25 g/mol
LogP5.58
Rot. Bonds4

About N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine

N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine (PubChem CID 2765006) has the molecular formula C18H16Cl2F3N3O and a molecular weight of 418.25 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine
PubChem CID2765006
Molecular FormulaC18H16Cl2F3N3O
Molecular Weight418.25 g/mol
Exact Mass417.06
IUPAC NameN-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine
SMILESFC(F)(F)c1cnc(N2CCC(=NOCc3ccc(Cl)cc3)CC2)c(Cl)c1
InChIInChI=1S/C18H16Cl2F3N3O/c19-14-3-1-12(2-4-14)11-27-25-15-5-7-26(8-6-15)17-16(20)9-13(10-24-17)18(21,22)23/h1-4,9-10H,5-8,11H2
InChIKeyMHYLXERWDUMEGF-UHFFFAOYSA-N
XLogP5.58
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.25
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine 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

(E)-1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
CID 11199162
(Z)-1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
CID 11314352
(Z)-1-(4-chlorophenyl)-2-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanon-1-one O-methyloxime
CID 11474734
(E)-1-(4-chlorophenyl)-2-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanon-1-one O-methyloxime
CID 11849822
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]tetrahydro-4(1H)-pyridinone O-[3-(trifluoromethyl)benzyl]oxime
CID 2765011
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(4-methylphenyl)methoxy]piperidin-4-imine
CID 2765008
2-[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-phenylethanol
CID 16318310
1-(4-Chlorophenyl)-2-[4-(2-pyridyl)piperazino]-1-ethanol
CID 53180161
2-(4-Chlorophenyl)ethyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 6734995
1-{2-[(4-Chlorobenzyl)oxy]ethyl}-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydropyrazin-1-ium chloride
CID 16413088
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
CID 36726619
1-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]-N-methoxypropan-1-imine
CID 59427559

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine?
The IUPAC name of N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine (CID 2765006) is N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine is FC(F)(F)c1cnc(N2CCC(=NOCc3ccc(Cl)cc3)CC2)c(Cl)c1.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine?
The InChIKey is MHYLXERWDUMEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3N3O/c19-14-3-1-12(2-4-14)11-27-25-15-5-7-26(8-6-15)17-16(20)9-13(10-24-17)18(21,22)23/h1-4,9-10H,5-8,11H2.
What are the key properties of N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine?
N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine has a molecular weight of 418.25 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-imine is sourced from PubChem (CID 2765006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).