1-(2-chloro-3,6-dimethylphenyl)piperazine

C12H17ClN2 — CID 84789887

IUPAC1-(2-chloro-3,6-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCNCC2)c1Cl
InChIInChI=1S/C12H17ClN2/c1-9-3-4-10(2)12(11(9)13)15-7-5-14-6-8-15/h3-4,14H,5-8H2,1-2H3
InChIKeyBFBYRDYDIPCFDM-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.37
Rot. Bonds1

About 1-(2-chloro-3,6-dimethylphenyl)piperazine

1-(2-chloro-3,6-dimethylphenyl)piperazine (PubChem CID 84789887) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(2-chloro-3,6-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-3,6-dimethylphenyl)piperazine
PubChem CID84789887
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-(2-chloro-3,6-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCNCC2)c1Cl
InChIInChI=1S/C12H17ClN2/c1-9-3-4-10(2)12(11(9)13)15-7-5-14-6-8-15/h3-4,14H,5-8H2,1-2H3
InChIKeyBFBYRDYDIPCFDM-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,6-dimethylphenyl)piperazine?
The IUPAC name of 1-(2-chloro-3,6-dimethylphenyl)piperazine (CID 84789887) is 1-(2-chloro-3,6-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(2-chloro-3,6-dimethylphenyl)piperazine?
The canonical SMILES for 1-(2-chloro-3,6-dimethylphenyl)piperazine is Cc1ccc(C)c(N2CCNCC2)c1Cl.
What is the InChIKey of 1-(2-chloro-3,6-dimethylphenyl)piperazine?
The InChIKey is BFBYRDYDIPCFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-3-4-10(2)12(11(9)13)15-7-5-14-6-8-15/h3-4,14H,5-8H2,1-2H3.
What are the key properties of 1-(2-chloro-3,6-dimethylphenyl)piperazine?
1-(2-chloro-3,6-dimethylphenyl)piperazine has a molecular weight of 224.73 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,6-dimethylphenyl)piperazine is sourced from PubChem (CID 84789887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).