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

C14H17ClF3N3 — CID 15310085

IUPAC4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline
SMILESFC(F)(F)/C(CN1CCCCC1)=N\Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClF3N3/c15-11-4-6-12(7-5-11)19-20-13(14(16,17)18)10-21-8-2-1-3-9-21/h4-7,19H,1-3,8-10H2/b20-13-
InChIKeyBQFDLDLUEYMEML-MOSHPQCFSA-N
MW319.76 g/mol
LogP4.16
Rot. Bonds4

About 4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline

4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline (PubChem CID 15310085) has the molecular formula C14H17ClF3N3 and a molecular weight of 319.76 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline
PubChem CID15310085
Molecular FormulaC14H17ClF3N3
Molecular Weight319.76 g/mol
Exact Mass319.11
IUPAC Name4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline
SMILESFC(F)(F)/C(CN1CCCCC1)=N\Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClF3N3/c15-11-4-6-12(7-5-11)19-20-13(14(16,17)18)10-21-8-2-1-3-9-21/h4-7,19H,1-3,8-10H2/b20-13-
InChIKeyBQFDLDLUEYMEML-MOSHPQCFSA-N
XLogP4.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
The IUPAC name of 4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline (CID 15310085) is 4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline.
What is the SMILES notation for 4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
The canonical SMILES for 4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline is FC(F)(F)/C(CN1CCCCC1)=N\Nc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
The InChIKey is BQFDLDLUEYMEML-MOSHPQCFSA-N. The full InChI is InChI=1S/C14H17ClF3N3/c15-11-4-6-12(7-5-11)19-20-13(14(16,17)18)10-21-8-2-1-3-9-21/h4-7,19H,1-3,8-10H2/b20-13-.
What are the key properties of 4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline?
4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline has a molecular weight of 319.76 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ylidene)amino]aniline is sourced from PubChem (CID 15310085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).