1-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C14H22N2O3 — CID 21109

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IUPAC1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCNCC2)c(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
InChIKeyUHWVSEOVJBQKBE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.12
Rot. Bonds5

About 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine

1-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 21109) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID21109
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCNCC2)c(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
InChIKeyUHWVSEOVJBQKBE-UHFFFAOYSA-N
XLogP1.12
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Lomerizine
CID 3949
Trimetazidine Dihydrochloride
CID 83201
Lomerizine Hydrochloride
CID 122125
1-Piperonylpiperazine
CID 94426
N-Methylmescaline
CID 138365
Bis(2,4-dimethoxybenzyl)amine
CID 88696
Anhalamine
CID 69510
LOMERIZINE DiHCl
CID 13579832
1-[(2,3-Dimethoxyphenyl)methyl]piperazine
CID 771965
Trimetazidine DiHCl
CID 9926449
7,8-Dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 179606
6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 199214

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 21109) is 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCNCC2)c(OC)c1OC.
What is the InChIKey of 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is UHWVSEOVJBQKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3.
What are the key properties of 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 266.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 21109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).