2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine

C17H26Cl2N2 — CID 64843293

IUPAC2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine
SMILESCCC1CN(Cc2ccc(Cl)cc2Cl)C(C(C)CC)CN1
InChIInChI=1S/C17H26Cl2N2/c1-4-12(3)17-9-20-15(5-2)11-21(17)10-13-6-7-14(18)8-16(13)19/h6-8,12,15,17,20H,4-5,9-11H2,1-3H3
InChIKeyGYZMLJKHZUGJME-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.59
Rot. Bonds5

About 2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine

2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine (PubChem CID 64843293) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine
PubChem CID64843293
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine
SMILESCCC1CN(Cc2ccc(Cl)cc2Cl)C(C(C)CC)CN1
InChIInChI=1S/C17H26Cl2N2/c1-4-12(3)17-9-20-15(5-2)11-21(17)10-13-6-7-14(18)8-16(13)19/h6-8,12,15,17,20H,4-5,9-11H2,1-3H3
InChIKeyGYZMLJKHZUGJME-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine 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-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine?
The IUPAC name of 2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine (CID 64843293) is 2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine is CCC1CN(Cc2ccc(Cl)cc2Cl)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine?
The InChIKey is GYZMLJKHZUGJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-4-12(3)17-9-20-15(5-2)11-21(17)10-13-6-7-14(18)8-16(13)19/h6-8,12,15,17,20H,4-5,9-11H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine?
2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine has a molecular weight of 329.31 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine is sourced from PubChem (CID 64843293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).