1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine

C20H27N3O2 — CID 141165774

IUPAC1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine
SMILESCCN1CCN(Cc2nc(-c3ccc(OC)cc3)ccc2OC)CC1
InChIInChI=1S/C20H27N3O2/c1-4-22-11-13-23(14-12-22)15-19-20(25-3)10-9-18(21-19)16-5-7-17(24-2)8-6-16/h5-10H,4,11-15H2,1-3H3
InChIKeyKHSDZALEHVQJMO-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.90
Rot. Bonds6

About 1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine

1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine (PubChem CID 141165774) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine
PubChem CID141165774
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine
SMILESCCN1CCN(Cc2nc(-c3ccc(OC)cc3)ccc2OC)CC1
InChIInChI=1S/C20H27N3O2/c1-4-22-11-13-23(14-12-22)15-19-20(25-3)10-9-18(21-19)16-5-7-17(24-2)8-6-16/h5-10H,4,11-15H2,1-3H3
InChIKeyKHSDZALEHVQJMO-UHFFFAOYSA-N
XLogP2.90
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]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-[(4-ethylpiperazin-1-yl)methyl]-3-(4-methoxyphenyl)isoquinoline;methane
CID 162101226
3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 20983318
1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503083
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine
CID 22502740
1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline;dihydrochloride
CID 22502737
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463638
N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364569
4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 44824454
3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 92591769
3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline;dihydrochloride
CID 22502852
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860556
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine (CID 141165774) is 1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine is CCN1CCN(Cc2nc(-c3ccc(OC)cc3)ccc2OC)CC1.
What is the InChIKey of 1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine?
The InChIKey is KHSDZALEHVQJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-22-11-13-23(14-12-22)15-19-20(25-3)10-9-18(21-19)16-5-7-17(24-2)8-6-16/h5-10H,4,11-15H2,1-3H3.
What are the key properties of 1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine?
1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine has a molecular weight of 341.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine is sourced from PubChem (CID 141165774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).