3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine

C17H28N2O4 — CID 57255690

IUPAC3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOCCC1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1
InChIInChI=1S/C17H28N2O4/c1-20-8-5-14-12-19(7-6-18-14)11-13-9-15(21-2)17(23-4)16(10-13)22-3/h9-10,14,18H,5-8,11-12H2,1-4H3
InChIKeyBMGHSTRSOIDGKR-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.52
Rot. Bonds8

About 3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine

3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 57255690) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID57255690
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOCCC1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1
InChIInChI=1S/C17H28N2O4/c1-20-8-5-14-12-19(7-6-18-14)11-13-9-15(21-2)17(23-4)16(10-13)22-3/h9-10,14,18H,5-8,11-12H2,1-4H3
InChIKeyBMGHSTRSOIDGKR-UHFFFAOYSA-N
XLogP1.52
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
CID 2838185
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylpiperazine
CID 64832996
(3aR,6aS)-5-(2-methoxyethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91905947
5-(2-methoxyethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 171141817
(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
CID 755065
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510109
(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937270
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propyl-1,4-diazepane
CID 103174277
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine
CID 104795217
2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 57255690) is 3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine is COCCC1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1.
What is the InChIKey of 3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is BMGHSTRSOIDGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-20-8-5-14-12-19(7-6-18-14)11-13-9-15(21-2)17(23-4)16(10-13)22-3/h9-10,14,18H,5-8,11-12H2,1-4H3.
What are the key properties of 3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 324.42 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 57255690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).