methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate

C22H23F3N2O2 — CID 143784345

IUPACmethyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate
SMILESC=C(/N=C(\OC)c1ccc(N2CCCCC2)cc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C22H23F3N2O2/c1-16(19-8-4-5-9-20(19)29-22(23,24)25)26-21(28-2)17-10-12-18(13-11-17)27-14-6-3-7-15-27/h4-5,8-13H,1,3,6-7,14-15H2,2H3/b26-21-
InChIKeyFHVUHXMZTJTXTM-QLYXXIJNSA-N
MW404.43 g/mol
LogP5.64
Rot. Bonds5

About methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate

methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate (PubChem CID 143784345) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate.

Molecular Properties

Compound Namemethyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate
PubChem CID143784345
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Namemethyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate
SMILESC=C(/N=C(\OC)c1ccc(N2CCCCC2)cc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C22H23F3N2O2/c1-16(19-8-4-5-9-20(19)29-22(23,24)25)26-21(28-2)17-10-12-18(13-11-17)27-14-6-3-7-15-27/h4-5,8-13H,1,3,6-7,14-15H2,2H3/b26-21-
InChIKeyFHVUHXMZTJTXTM-QLYXXIJNSA-N
XLogP5.64
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Pyronine B
CID 16524
3-(4-Methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 4337747
1-[3-(2-Methoxyphenyl)-2-propen-1-yl]-4-phenylpiperazine
CID 783076
1-(4-Fluorophenyl)-4-[1-(2-methoxybenzyl)piperidin-3-yl]piperazine
CID 23723290
[7-(Diethylamino)-4-methylchromen-2-ylidene]-phenylazanium
CID 45488738
8-Methoxy-2-(4-methylphenyl)-3,4-dihydroisoquinolin-2-ium bromide
CID 134154820
Ethanaminium, N-[6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride
CID 16525
N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine
CID 121418451
Nnc 09-0026
CID 132350
Cambridge id 5417476
CID 782213
(E)-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-one O-ethyloxime
CID 11849263
8-Methoxy-2-[2-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2-ium bromide
CID 134135860

Frequently Asked Questions

What is the IUPAC name of methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate?
The IUPAC name of methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate (CID 143784345) is methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate.
What is the SMILES notation for methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate?
The canonical SMILES for methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate is C=C(/N=C(\OC)c1ccc(N2CCCCC2)cc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate?
The InChIKey is FHVUHXMZTJTXTM-QLYXXIJNSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-16(19-8-4-5-9-20(19)29-22(23,24)25)26-21(28-2)17-10-12-18(13-11-17)27-14-6-3-7-15-27/h4-5,8-13H,1,3,6-7,14-15H2,2H3/b26-21-.
What are the key properties of methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate?
methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate has a molecular weight of 404.43 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperidin-1-yl-N-[1-[2-(trifluoromethoxy)phenyl]ethenyl]benzenecarboximidate is sourced from PubChem (CID 143784345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).