1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine

C20H27N3O2 — CID 742605

IUPAC1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESCCOc1cc(CN2CCN(Cc3ccccn3)CC2)ccc1OC
InChIInChI=1S/C20H27N3O2/c1-3-25-20-14-17(7-8-19(20)24-2)15-22-10-12-23(13-11-22)16-18-6-4-5-9-21-18/h4-9,14H,3,10-13,15-16H2,1-2H3
InChIKeyDXFGANQJNSJNNR-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.81
Rot. Bonds7

About 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine

1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 742605) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
PubChem CID742605
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESCCOc1cc(CN2CCN(Cc3ccccn3)CC2)ccc1OC
InChIInChI=1S/C20H27N3O2/c1-3-25-20-14-17(7-8-19(20)24-2)15-22-10-12-23(13-11-22)16-18-6-4-5-9-21-18/h4-9,14H,3,10-13,15-16H2,1-2H3
InChIKeyDXFGANQJNSJNNR-UHFFFAOYSA-N
XLogP2.81
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)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

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
PF-07038124
CID 148293990
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
6,7-Dimethoxy-1-methylisoquinoline
CID 20725
CT 1730; GR 259653X
CID 89809670
5-Hexyl-2-pyridin-2-yloxyphenol
CID 44450183
RG 13022
CID 5468216
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
Pseudopalmatine
CID 644002

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine (CID 742605) is 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine is CCOc1cc(CN2CCN(Cc3ccccn3)CC2)ccc1OC.
What is the InChIKey of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is DXFGANQJNSJNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-25-20-14-17(7-8-19(20)24-2)15-22-10-12-23(13-11-22)16-18-6-4-5-9-21-18/h4-9,14H,3,10-13,15-16H2,1-2H3.
What are the key properties of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 341.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 742605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).