1-(2-chloroethyl)piperazine;hydrochloride

C6H14Cl2N2 — CID 11332881

IUPAC1-(2-chloroethyl)piperazine;hydrochloride
SMILESCl.ClCCN1CCNCC1
InChIInChI=1S/C6H13ClN2.ClH/c7-1-4-9-5-2-8-3-6-9;/h8H,1-6H2;1H
InChIKeyXIBJAEUNYGEDAU-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.55
Rot. Bonds2

About 1-(2-chloroethyl)piperazine;hydrochloride

1-(2-chloroethyl)piperazine;hydrochloride (PubChem CID 11332881) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is 1-(2-chloroethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloroethyl)piperazine;hydrochloride
PubChem CID11332881
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name1-(2-chloroethyl)piperazine;hydrochloride
SMILESCl.ClCCN1CCNCC1
InChIInChI=1S/C6H13ClN2.ClH/c7-1-4-9-5-2-8-3-6-9;/h8H,1-6H2;1H
InChIKeyXIBJAEUNYGEDAU-UHFFFAOYSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)piperazine;hydrochloride?
The IUPAC name of 1-(2-chloroethyl)piperazine;hydrochloride (CID 11332881) is 1-(2-chloroethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2-chloroethyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2-chloroethyl)piperazine;hydrochloride is Cl.ClCCN1CCNCC1.
What is the InChIKey of 1-(2-chloroethyl)piperazine;hydrochloride?
The InChIKey is XIBJAEUNYGEDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2.ClH/c7-1-4-9-5-2-8-3-6-9;/h8H,1-6H2;1H.
What are the key properties of 1-(2-chloroethyl)piperazine;hydrochloride?
1-(2-chloroethyl)piperazine;hydrochloride has a molecular weight of 185.10 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)piperazine;hydrochloride is sourced from PubChem (CID 11332881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).