1-(3,5-dichlorophenyl)piperazine

C10H12Cl2N2 — CID 2736067

IUPAC1-(3,5-dichlorophenyl)piperazine
SMILESClc1cc(Cl)cc(N2CCNCC2)c1
InChIInChI=1S/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKeyLISGMSBYRAXPJH-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.40
Rot. Bonds1

About 1-(3,5-dichlorophenyl)piperazine

1-(3,5-dichlorophenyl)piperazine (PubChem CID 2736067) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)piperazine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)piperazine
PubChem CID2736067
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name1-(3,5-dichlorophenyl)piperazine
SMILESClc1cc(Cl)cc(N2CCNCC2)c1
InChIInChI=1S/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKeyLISGMSBYRAXPJH-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)piperazine?
The IUPAC name of 1-(3,5-dichlorophenyl)piperazine (CID 2736067) is 1-(3,5-dichlorophenyl)piperazine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)piperazine?
The canonical SMILES for 1-(3,5-dichlorophenyl)piperazine is Clc1cc(Cl)cc(N2CCNCC2)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)piperazine?
The InChIKey is LISGMSBYRAXPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2.
What are the key properties of 1-(3,5-dichlorophenyl)piperazine?
1-(3,5-dichlorophenyl)piperazine has a molecular weight of 231.13 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)piperazine is sourced from PubChem (CID 2736067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).