1-[(2,3-dimethoxyphenyl)methyl]piperazine

C13H20N2O2 — CID 771965

IUPAC1-[(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCNCC2)c1OC
InChIInChI=1S/C13H20N2O2/c1-16-12-5-3-4-11(13(12)17-2)10-15-8-6-14-7-9-15/h3-5,14H,6-10H2,1-2H3
InChIKeyRHKQXCFGQFIGNO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.11
Rot. Bonds4

About 1-[(2,3-dimethoxyphenyl)methyl]piperazine

1-[(2,3-dimethoxyphenyl)methyl]piperazine (PubChem CID 771965) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]piperazine
PubChem CID771965
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCNCC2)c1OC
InChIInChI=1S/C13H20N2O2/c1-16-12-5-3-4-11(13(12)17-2)10-15-8-6-14-7-9-15/h3-5,14H,6-10H2,1-2H3
InChIKeyRHKQXCFGQFIGNO-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
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)methyl]piperazine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]piperazine (CID 771965) is 1-[(2,3-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]piperazine is COc1cccc(CN2CCNCC2)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]piperazine?
The InChIKey is RHKQXCFGQFIGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-12-5-3-4-11(13(12)17-2)10-15-8-6-14-7-9-15/h3-5,14H,6-10H2,1-2H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]piperazine?
1-[(2,3-dimethoxyphenyl)methyl]piperazine has a molecular weight of 236.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 771965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).