1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride

C12H18Cl4N2 — CID 11461707

IUPAC1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
SMILESCl.Cl.ClCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16Cl2N2.2ClH/c13-5-6-15-7-9-16(10-8-15)12-3-1-11(14)2-4-12;;/h1-4H,5-10H2;2*1H
InChIKeyQOLJSGIHRXZQMO-UHFFFAOYSA-N
MW332.10 g/mol
LogP3.54
Rot. Bonds3

About 1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride

1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride (PubChem CID 11461707) has the molecular formula C12H18Cl4N2 and a molecular weight of 332.10 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
PubChem CID11461707
Molecular FormulaC12H18Cl4N2
Molecular Weight332.10 g/mol
Exact Mass330.02
IUPAC Name1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
SMILESCl.Cl.ClCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16Cl2N2.2ClH/c13-5-6-15-7-9-16(10-8-15)12-3-1-11(14)2-4-12;;/h1-4H,5-10H2;2*1H
InChIKeyQOLJSGIHRXZQMO-UHFFFAOYSA-N
XLogP3.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
1-(2-chloroethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
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1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine
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1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
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CID 62574146
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 3088495
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68813544
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CID 79843810
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CID 118727897

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride?
The IUPAC name of 1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride (CID 11461707) is 1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride is Cl.Cl.ClCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride?
The InChIKey is QOLJSGIHRXZQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2.2ClH/c13-5-6-15-7-9-16(10-8-15)12-3-1-11(14)2-4-12;;/h1-4H,5-10H2;2*1H.
What are the key properties of 1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride?
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride has a molecular weight of 332.10 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride is sourced from PubChem (CID 11461707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).