N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine

C17H23F3N2 — CID 162557176

IUPACN-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine
SMILESCCCN1CCC(c2cccc(C(F)(F)F)c2/C=N/C)CC1
InChIInChI=1S/C17H23F3N2/c1-3-9-22-10-7-13(8-11-22)14-5-4-6-16(17(18,19)20)15(14)12-21-2/h4-6,12-13H,3,7-11H2,1-2H3/b21-12+
InChIKeyWJWYQSUXCRDAED-CIAFOILYSA-N
MW312.38 g/mol
LogP4.34
Rot. Bonds4

About N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine

N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine (PubChem CID 162557176) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine
PubChem CID162557176
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC NameN-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine
SMILESCCCN1CCC(c2cccc(C(F)(F)F)c2/C=N/C)CC1
InChIInChI=1S/C17H23F3N2/c1-3-9-22-10-7-13(8-11-22)14-5-4-6-16(17(18,19)20)15(14)12-21-2/h4-6,12-13H,3,7-11H2,1-2H3/b21-12+
InChIKeyWJWYQSUXCRDAED-CIAFOILYSA-N
XLogP4.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-methyl-3-(trifluoromethylsulfonyl)phenyl]-1-propylpiperidine
CID 11667434
4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine
CID 11702233
4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine
CID 90975920
2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol
CID 67533716
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
(3aR,9bR)-2-propyl-6-(trifluoromethyl)-3,3a,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrole
CID 25230092
2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline
CID 11594390
(5-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159729524
1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine
CID 159917565
4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
CID 141379171
1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
CID 175858113
1-(2-cyclopentylphenyl)-4-propylpiperazine
CID 23142751

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine (CID 162557176) is N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine is CCCN1CCC(c2cccc(C(F)(F)F)c2/C=N/C)CC1.
What is the InChIKey of N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine?
The InChIKey is WJWYQSUXCRDAED-CIAFOILYSA-N. The full InChI is InChI=1S/C17H23F3N2/c1-3-9-22-10-7-13(8-11-22)14-5-4-6-16(17(18,19)20)15(14)12-21-2/h4-6,12-13H,3,7-11H2,1-2H3/b21-12+.
What are the key properties of N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine?
N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine has a molecular weight of 312.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 162557176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).