1-(2-chloro-5-methoxyphenyl)piperazine

C11H15ClN2O — CID 18663028

IUPAC1-(2-chloro-5-methoxyphenyl)piperazine
SMILESCOc1ccc(Cl)c(N2CCNCC2)c1
InChIInChI=1S/C11H15ClN2O/c1-15-9-2-3-10(12)11(8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyGNNSHUNRDUGDAT-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.76
Rot. Bonds2

About 1-(2-chloro-5-methoxyphenyl)piperazine

1-(2-chloro-5-methoxyphenyl)piperazine (PubChem CID 18663028) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)piperazine
PubChem CID18663028
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-(2-chloro-5-methoxyphenyl)piperazine
SMILESCOc1ccc(Cl)c(N2CCNCC2)c1
InChIInChI=1S/C11H15ClN2O/c1-15-9-2-3-10(12)11(8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyGNNSHUNRDUGDAT-UHFFFAOYSA-N
XLogP1.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)piperazine?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)piperazine (CID 18663028) is 1-(2-chloro-5-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)piperazine?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)piperazine is COc1ccc(Cl)c(N2CCNCC2)c1.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)piperazine?
The InChIKey is GNNSHUNRDUGDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-9-2-3-10(12)11(8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 1-(2-chloro-5-methoxyphenyl)piperazine?
1-(2-chloro-5-methoxyphenyl)piperazine has a molecular weight of 226.71 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenyl)piperazine is sourced from PubChem (CID 18663028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).