1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine

C20H27N3O3 — CID 3580292

IUPAC1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(C(c2ccc(C)cn2)N2CCNCC2)cc1OC
InChIInChI=1S/C20H27N3O3/c1-14-5-6-16(22-13-14)20(23-9-7-21-8-10-23)15-11-18(25-3)19(26-4)12-17(15)24-2/h5-6,11-13,20-21H,7-10H2,1-4H3
InChIKeyJISSKLSYZGZPBD-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.41
Rot. Bonds6

About 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine

1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 3580292) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID3580292
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(C(c2ccc(C)cn2)N2CCNCC2)cc1OC
InChIInChI=1S/C20H27N3O3/c1-14-5-6-16(22-13-14)20(23-9-7-21-8-10-23)15-11-18(25-3)19(26-4)12-17(15)24-2/h5-6,11-13,20-21H,7-10H2,1-4H3
InChIKeyJISSKLSYZGZPBD-UHFFFAOYSA-N
XLogP2.41
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]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-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4594125
1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4023564
1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 3721209
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3567529
1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
CID 5017511
1-[(2-methylphenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4201930
1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3715051
1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 5129561
2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4574203
1-[(3-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3732221
3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 3580411
1-[(3,4-dichlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3504603

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine (CID 3580292) is 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(OC)c(C(c2ccc(C)cn2)N2CCNCC2)cc1OC.
What is the InChIKey of 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is JISSKLSYZGZPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-5-6-16(22-13-14)20(23-9-7-21-8-10-23)15-11-18(25-3)19(26-4)12-17(15)24-2/h5-6,11-13,20-21H,7-10H2,1-4H3.
What are the key properties of 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine?
1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 357.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3580292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).