1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine

C16H24Cl2N2 — CID 64934480

IUPAC1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
SMILESCCC1CNC(CC)(CC)CN1c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-4-13-10-19-16(5-2,6-3)11-20(13)15-9-12(17)7-8-14(15)18/h7-9,13,19H,4-6,10-11H2,1-3H3
InChIKeyHJRJFZNGTOFORY-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.74
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine

1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine (PubChem CID 64934480) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
PubChem CID64934480
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
SMILESCCC1CNC(CC)(CC)CN1c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-4-13-10-19-16(5-2,6-3)11-20(13)15-9-12(17)7-8-14(15)18/h7-9,13,19H,4-6,10-11H2,1-3H3
InChIKeyHJRJFZNGTOFORY-UHFFFAOYSA-N
XLogP4.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine 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 1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine (CID 64934480) is 1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine is CCC1CNC(CC)(CC)CN1c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine?
The InChIKey is HJRJFZNGTOFORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-4-13-10-19-16(5-2,6-3)11-20(13)15-9-12(17)7-8-14(15)18/h7-9,13,19H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine?
1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine has a molecular weight of 315.29 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine is sourced from PubChem (CID 64934480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).