N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine

C13H19F3N2 — CID 143984943

IUPACN-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)CC1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-10(7-11-3-5-18-6-4-11)8-12(9-17-2)13(14,15)16/h8-9,11,18H,2-7H2,1H3/b10-8+,12-9+
InChIKeyFXQIXYXTBWCGOZ-AXDLQRQNSA-N
MW260.30 g/mol
LogP3.47
Rot. Bonds4

About N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine

N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine (PubChem CID 143984943) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
PubChem CID143984943
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)CC1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-10(7-11-3-5-18-6-4-11)8-12(9-17-2)13(14,15)16/h8-9,11,18H,2-7H2,1H3/b10-8+,12-9+
InChIKeyFXQIXYXTBWCGOZ-AXDLQRQNSA-N
XLogP3.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69530943
(3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine
CID 134292370
N-methyl-3-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-amine
CID 142009393
4-[7-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine
CID 142862526
(1E,3E)-N,4-dimethyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dien-1-amine
CID 144022465
4-[(2E,3Z)-2-ethylidene-1,1-difluorohexa-3,5-dienyl]piperidine
CID 153536674
4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine
CID 154950790
4,4-difluoro-3-[(3E)-penta-1,3-dien-2-yl]piperidine
CID 163237725
N-[(1E,3E)-4-methyl-5-piperidin-4-yl-1-(trifluoromethoxy)penta-1,3-dienyl]methanimine
CID 170068978
3-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]piperidine
CID 176663282
(3R)-N-methyl-3-[7-methyl-4-methylidene-3-(trifluoromethyl)cyclohepta-1,6-dien-1-yl]-5-piperidin-1-ylpentan-1-amine
CID 176947611
3-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine
CID 162587231

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine (CID 143984943) is N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine is C=N/C=C(\C=C(/C)CC1CCNCC1)C(F)(F)F.
What is the InChIKey of N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
The InChIKey is FXQIXYXTBWCGOZ-AXDLQRQNSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-10(7-11-3-5-18-6-4-11)8-12(9-17-2)13(14,15)16/h8-9,11,18H,2-7H2,1H3/b10-8+,12-9+.
What are the key properties of N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine has a molecular weight of 260.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 143984943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).