1-(3-chlorophenyl)piperazine;hydrochloride

C10H14Cl2N2 — CID 25681

IUPAC1-(3-chlorophenyl)piperazine;hydrochloride
SMILESCl.Clc1cccc(N2CCNCC2)c1
InChIInChI=1S/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H
InChIKeyMHXPYWFZULXYHT-UHFFFAOYSA-N
MW233.14 g/mol
LogP2.17
Rot. Bonds1

About 1-(3-chlorophenyl)piperazine;hydrochloride

1-(3-chlorophenyl)piperazine;hydrochloride (PubChem CID 25681) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-(3-chlorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)piperazine;hydrochloride
PubChem CID25681
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name1-(3-chlorophenyl)piperazine;hydrochloride
SMILESCl.Clc1cccc(N2CCNCC2)c1
InChIInChI=1S/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H
InChIKeyMHXPYWFZULXYHT-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)piperazine;hydrochloride (CID 25681) is 1-(3-chlorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)piperazine;hydrochloride is Cl.Clc1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)piperazine;hydrochloride?
The InChIKey is MHXPYWFZULXYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H.
What are the key properties of 1-(3-chlorophenyl)piperazine;hydrochloride?
1-(3-chlorophenyl)piperazine;hydrochloride has a molecular weight of 233.14 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 25681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).