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

C21H28N2O3 — CID 3478154

IUPAC1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
SMILESCCOc1cc(C(c2ccccc2OC)N2CCNCC2)ccc1OC
InChIInChI=1S/C21H28N2O3/c1-4-26-20-15-16(9-10-19(20)25-3)21(23-13-11-22-12-14-23)17-7-5-6-8-18(17)24-2/h5-10,15,21-22H,4,11-14H2,1-3H3
InChIKeyAXXJMPDSCVUXNI-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.10
Rot. Bonds7

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

1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine (PubChem CID 3478154) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
PubChem CID3478154
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
SMILESCCOc1cc(C(c2ccccc2OC)N2CCNCC2)ccc1OC
InChIInChI=1S/C21H28N2O3/c1-4-26-20-15-16(9-10-19(20)25-3)21(23-13-11-22-12-14-23)17-7-5-6-8-18(17)24-2/h5-10,15,21-22H,4,11-14H2,1-3H3
InChIKeyAXXJMPDSCVUXNI-UHFFFAOYSA-N
XLogP3.10
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3663774
1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3826604
1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4222145
1-[(2,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3832426
1-[(3-ethoxy-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3746492
1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
CID 4618691
1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 5211514
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(S)-(3-ethoxy-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280909
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
CID 171293533

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine (CID 3478154) is 1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine is CCOc1cc(C(c2ccccc2OC)N2CCNCC2)ccc1OC.
What is the InChIKey of 1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine?
The InChIKey is AXXJMPDSCVUXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-26-20-15-16(9-10-19(20)25-3)21(23-13-11-22-12-14-23)17-7-5-6-8-18(17)24-2/h5-10,15,21-22H,4,11-14H2,1-3H3.
What are the key properties of 1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine?
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine has a molecular weight of 356.47 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3478154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).