1-(2,3-dimethoxyphenyl)piperazine

C12H18N2O2 — CID 18669088

IUPAC1-(2,3-dimethoxyphenyl)piperazine
SMILESCOc1cccc(N2CCNCC2)c1OC
InChIInChI=1S/C12H18N2O2/c1-15-11-5-3-4-10(12(11)16-2)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3
InChIKeyCHCSADXLBWHWOY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.11
Rot. Bonds3

About 1-(2,3-dimethoxyphenyl)piperazine

1-(2,3-dimethoxyphenyl)piperazine (PubChem CID 18669088) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)piperazine
PubChem CID18669088
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(2,3-dimethoxyphenyl)piperazine
SMILESCOc1cccc(N2CCNCC2)c1OC
InChIInChI=1S/C12H18N2O2/c1-15-11-5-3-4-10(12(11)16-2)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3
InChIKeyCHCSADXLBWHWOY-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)piperazine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)piperazine (CID 18669088) is 1-(2,3-dimethoxyphenyl)piperazine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)piperazine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)piperazine is COc1cccc(N2CCNCC2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)piperazine?
The InChIKey is CHCSADXLBWHWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-11-5-3-4-10(12(11)16-2)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)piperazine?
1-(2,3-dimethoxyphenyl)piperazine has a molecular weight of 222.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)piperazine is sourced from PubChem (CID 18669088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).