1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine

C20H26N2O2 — CID 3967405

IUPAC1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
SMILESCCOc1cc(C(c2ccccc2)N2CCNCC2)ccc1OC
InChIInChI=1S/C20H26N2O2/c1-3-24-19-15-17(9-10-18(19)23-2)20(16-7-5-4-6-8-16)22-13-11-21-12-14-22/h4-10,15,20-21H,3,11-14H2,1-2H3
InChIKeyMJDPISUNNZFPPA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.09
Rot. Bonds6

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

1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine (PubChem CID 3967405) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
PubChem CID3967405
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
SMILESCCOc1cc(C(c2ccccc2)N2CCNCC2)ccc1OC
InChIInChI=1S/C20H26N2O2/c1-3-24-19-15-17(9-10-18(19)23-2)20(16-7-5-4-6-8-16)22-13-11-21-12-14-22/h4-10,15,20-21H,3,11-14H2,1-2H3
InChIKeyMJDPISUNNZFPPA-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-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
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-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3,4-dimethoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3614398
1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
CID 4618691
1-[(S)-(3-ethoxy-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280909
1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5238145
1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3663774
1-[(4-ethoxy-3-methoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3804047
1-[(3-ethoxy-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3746492
1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3580291

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine (CID 3967405) is 1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine is CCOc1cc(C(c2ccccc2)N2CCNCC2)ccc1OC.
What is the InChIKey of 1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine?
The InChIKey is MJDPISUNNZFPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-24-19-15-17(9-10-18(19)23-2)20(16-7-5-4-6-8-16)22-13-11-21-12-14-22/h4-10,15,20-21H,3,11-14H2,1-2H3.
What are the key properties of 1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine?
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]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-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 3967405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).