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

C16H26N2O3 — CID 83934072

IUPAC1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
SMILESCOc1ccc(CCCN2CCNCC2)c(OC)c1OC
InChIInChI=1S/C16H26N2O3/c1-19-14-7-6-13(15(20-2)16(14)21-3)5-4-10-18-11-8-17-9-12-18/h6-7,17H,4-5,8-12H2,1-3H3
InChIKeyGSQRKQWMGRRFHJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.55
Rot. Bonds7

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

1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine (PubChem CID 83934072) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
PubChem CID83934072
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
SMILESCOc1ccc(CCCN2CCNCC2)c(OC)c1OC
InChIInChI=1S/C16H26N2O3/c1-19-14-7-6-13(15(20-2)16(14)21-3)5-4-10-18-11-8-17-9-12-18/h6-7,17H,4-5,8-12H2,1-3H3
InChIKeyGSQRKQWMGRRFHJ-UHFFFAOYSA-N
XLogP1.55
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
(E)-but-2-enedioic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 25153728
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
CID 83944159
1-[3-(4,5-dimethoxy-2-nitrophenyl)propyl]piperazine
CID 112720390
1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
CID 82160589
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117415471

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine (CID 83934072) is 1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine is COc1ccc(CCCN2CCNCC2)c(OC)c1OC.
What is the InChIKey of 1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine?
The InChIKey is GSQRKQWMGRRFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-19-14-7-6-13(15(20-2)16(14)21-3)5-4-10-18-11-8-17-9-12-18/h6-7,17H,4-5,8-12H2,1-3H3.
What are the key properties of 1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine?
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine has a molecular weight of 294.39 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine is sourced from PubChem (CID 83934072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).