2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline

C14H18Cl3N3 — CID 5114849

IUPAC2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline
SMILESCCCN1CCC(=NNc2c(Cl)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl3N3/c1-2-5-20-6-3-11(4-7-20)18-19-14-12(16)8-10(15)9-13(14)17/h8-9,19H,2-7H2,1H3
InChIKeyUNMQOTIGSWDOAF-UHFFFAOYSA-N
MW334.68 g/mol
LogP4.92
Rot. Bonds4

About 2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline

2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline (PubChem CID 5114849) has the molecular formula C14H18Cl3N3 and a molecular weight of 334.68 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline
PubChem CID5114849
Molecular FormulaC14H18Cl3N3
Molecular Weight334.68 g/mol
Exact Mass333.06
IUPAC Name2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline
SMILESCCCN1CCC(=NNc2c(Cl)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl3N3/c1-2-5-20-6-3-11(4-7-20)18-19-14-12(16)8-10(15)9-13(14)17/h8-9,19H,2-7H2,1H3
InChIKeyUNMQOTIGSWDOAF-UHFFFAOYSA-N
XLogP4.92
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.68
LogP ≤ 54.92
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 2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline (CID 5114849) is 2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline is CCCN1CCC(=NNc2c(Cl)cc(Cl)cc2Cl)CC1.
What is the InChIKey of 2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline?
The InChIKey is UNMQOTIGSWDOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3N3/c1-2-5-20-6-3-11(4-7-20)18-19-14-12(16)8-10(15)9-13(14)17/h8-9,19H,2-7H2,1H3.
What are the key properties of 2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline?
2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline has a molecular weight of 334.68 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(1-propylpiperidin-4-ylidene)amino]aniline is sourced from PubChem (CID 5114849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).