1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine

C20H26N2O2 — CID 3289491

IUPAC1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
SMILESCCOc1cccc(C(c2ccc(OC)cc2)N2CCNCC2)c1
InChIInChI=1S/C20H26N2O2/c1-3-24-19-6-4-5-17(15-19)20(22-13-11-21-12-14-22)16-7-9-18(23-2)10-8-16/h4-10,15,20-21H,3,11-14H2,1-2H3
InChIKeyIFZBJNQPJJVIBF-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.09
Rot. Bonds6

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

1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine (PubChem CID 3289491) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
PubChem CID3289491
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
SMILESCCOc1cccc(C(c2ccc(OC)cc2)N2CCNCC2)c1
InChIInChI=1S/C20H26N2O2/c1-3-24-19-6-4-5-17(15-19)20(22-13-11-21-12-14-22)16-7-9-18(23-2)10-8-16/h4-10,15,20-21H,3,11-14H2,1-2H3
InChIKeyIFZBJNQPJJVIBF-UHFFFAOYSA-N
XLogP3.09
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3326663
1-[(3-ethoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4308636
1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 4037248
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375
1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3922190
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420
1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
CID 3836641
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3970423
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847
1-[1,3-benzodioxol-5-yl-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3832556

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine (CID 3289491) is 1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine is CCOc1cccc(C(c2ccc(OC)cc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine?
The InChIKey is IFZBJNQPJJVIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-24-19-6-4-5-17(15-19)20(22-13-11-21-12-14-22)16-7-9-18(23-2)10-8-16/h4-10,15,20-21H,3,11-14H2,1-2H3.
What are the key properties of 1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine?
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine has a molecular weight of 326.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3289491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).