1-(3,4,5-trimethoxyphenyl)piperazine

C13H20N2O3 — CID 3838765

IUPAC1-(3,4,5-trimethoxyphenyl)piperazine
SMILESCOc1cc(N2CCNCC2)cc(OC)c1OC
InChIInChI=1S/C13H20N2O3/c1-16-11-8-10(15-6-4-14-5-7-15)9-12(17-2)13(11)18-3/h8-9,14H,4-7H2,1-3H3
InChIKeyQSTMOHFZTDLSBZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.12
Rot. Bonds4

About 1-(3,4,5-trimethoxyphenyl)piperazine

1-(3,4,5-trimethoxyphenyl)piperazine (PubChem CID 3838765) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)piperazine
PubChem CID3838765
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(3,4,5-trimethoxyphenyl)piperazine
SMILESCOc1cc(N2CCNCC2)cc(OC)c1OC
InChIInChI=1S/C13H20N2O3/c1-16-11-8-10(15-6-4-14-5-7-15)9-12(17-2)13(11)18-3/h8-9,14H,4-7H2,1-3H3
InChIKeyQSTMOHFZTDLSBZ-UHFFFAOYSA-N
XLogP1.12
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethoxyphenyl)piperazine?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)piperazine (CID 3838765) is 1-(3,4,5-trimethoxyphenyl)piperazine.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)piperazine?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)piperazine is COc1cc(N2CCNCC2)cc(OC)c1OC.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)piperazine?
The InChIKey is QSTMOHFZTDLSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-16-11-8-10(15-6-4-14-5-7-15)9-12(17-2)13(11)18-3/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 1-(3,4,5-trimethoxyphenyl)piperazine?
1-(3,4,5-trimethoxyphenyl)piperazine has a molecular weight of 252.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)piperazine is sourced from PubChem (CID 3838765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).