N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline

C14H18F3N3 — CID 15310083

IUPACN-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline
SMILESFC(F)(F)/C(CN1CCCCC1)=N\Nc1ccccc1
InChIInChI=1S/C14H18F3N3/c15-14(16,17)13(11-20-9-5-2-6-10-20)19-18-12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-11H2/b19-13-
InChIKeyOJJHIAJMNGPTAC-UYRXBGFRSA-N
MW285.31 g/mol
LogP3.50
Rot. Bonds4

About N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline

N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline (PubChem CID 15310083) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline.

Molecular Properties

Compound NameN-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline
PubChem CID15310083
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC NameN-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline
SMILESFC(F)(F)/C(CN1CCCCC1)=N\Nc1ccccc1
InChIInChI=1S/C14H18F3N3/c15-14(16,17)13(11-20-9-5-2-6-10-20)19-18-12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-11H2/b19-13-
InChIKeyOJJHIAJMNGPTAC-UYRXBGFRSA-N
XLogP3.50
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Fluorophenyl)hydrazono]-3-imino-3-(1-piperidinyl)propanenitrile
CID 6401024
2-[(2-Fluorophenyl)hydrazono]-3-imino-3-(1-piperidinyl)propanenitrile
CID 6401026
Trifluoroacetaldehyde phenylhydrazone
CID 9602350
2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline
CID 90666446
(2E)-2-[2-(3-fluorophenyl)hydrazinylidene]-3-imino-3-(piperidin-1-yl)propanenitrile
CID 6401037
Hexafluoroacetone phenylhydrazone
CID 12796053
Anilinopiperidine
CID 3308575
Difluoromethyl-glyoxal bis(phenylhydrazone)
CID 85915309
Diethyl-(2-(phenyl-hydrazono)-propyl)-amine
CID 5406771
CID 6614529
CID 6614529
CID 6789359
CID 6789359
(1Z)-3,3,3-trifluoro-2-(methylamino)-N-phenylpropanehydrazonoyl fluoride
CID 9600598

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
The IUPAC name of N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline (CID 15310083) is N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline.
What is the SMILES notation for N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
The canonical SMILES for N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline is FC(F)(F)/C(CN1CCCCC1)=N\Nc1ccccc1.
What is the InChIKey of N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
The InChIKey is OJJHIAJMNGPTAC-UYRXBGFRSA-N. The full InChI is InChI=1S/C14H18F3N3/c15-14(16,17)13(11-20-9-5-2-6-10-20)19-18-12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-11H2/b19-13-.
What are the key properties of N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline has a molecular weight of 285.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline is sourced from PubChem (CID 15310083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).