2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline

C16H23Cl3N2 — CID 43308707

IUPAC2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C16H23Cl3N2/c1-3-6-21-7-4-5-12(10-21)11(2)20-16-14(18)8-13(17)9-15(16)19/h8-9,11-12,20H,3-7,10H2,1-2H3
InChIKeyLNUMWOKAWDNYMT-UHFFFAOYSA-N
MW349.73 g/mol
LogP5.57
Rot. Bonds5

About 2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline

2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (PubChem CID 43308707) has the molecular formula C16H23Cl3N2 and a molecular weight of 349.73 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
PubChem CID43308707
Molecular FormulaC16H23Cl3N2
Molecular Weight349.73 g/mol
Exact Mass348.09
IUPAC Name2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C16H23Cl3N2/c1-3-6-21-7-4-5-12(10-21)11(2)20-16-14(18)8-13(17)9-15(16)19/h8-9,11-12,20H,3-7,10H2,1-2H3
InChIKeyLNUMWOKAWDNYMT-UHFFFAOYSA-N
XLogP5.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.73
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (CID 43308707) is 2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline is CCCN1CCCC(C(C)Nc2c(Cl)cc(Cl)cc2Cl)C1.
What is the InChIKey of 2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The InChIKey is LNUMWOKAWDNYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl3N2/c1-3-6-21-7-4-5-12(10-21)11(2)20-16-14(18)8-13(17)9-15(16)19/h8-9,11-12,20H,3-7,10H2,1-2H3.
What are the key properties of 2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline has a molecular weight of 349.73 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 43308707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).