1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine

C22H30N2O3 — CID 120767587

IUPAC1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine
SMILESCCOCc1cc(CN2CCNCC2c2ccccc2OC)ccc1OC
InChIInChI=1S/C22H30N2O3/c1-4-27-16-18-13-17(9-10-21(18)25-2)15-24-12-11-23-14-20(24)19-7-5-6-8-22(19)26-3/h5-10,13,20,23H,4,11-12,14-16H2,1-3H3
InChIKeyNGHKVMLGBBRENO-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.39
Rot. Bonds8

About 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine

1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine (PubChem CID 120767587) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine
PubChem CID120767587
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine
SMILESCCOCc1cc(CN2CCNCC2c2ccccc2OC)ccc1OC
InChIInChI=1S/C22H30N2O3/c1-4-27-16-18-13-17(9-10-21(18)25-2)15-24-12-11-23-14-20(24)19-7-5-6-8-22(19)26-3/h5-10,13,20,23H,4,11-12,14-16H2,1-3H3
InChIKeyNGHKVMLGBBRENO-UHFFFAOYSA-N
XLogP3.39
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine
CID 120767579
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 120754114
2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine
CID 120767270
1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120754169
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120754113
1-[(2-methoxy-5-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753678
1-[(3-chloro-4-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120846326
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120754221
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine (CID 120767587) is 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine is CCOCc1cc(CN2CCNCC2c2ccccc2OC)ccc1OC.
What is the InChIKey of 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine?
The InChIKey is NGHKVMLGBBRENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-27-16-18-13-17(9-10-21(18)25-2)15-24-12-11-23-14-20(24)19-7-5-6-8-22(19)26-3/h5-10,13,20,23H,4,11-12,14-16H2,1-3H3.
What are the key properties of 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine?
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine has a molecular weight of 370.49 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 120767587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).