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

C20H26N2O2 — CID 763382

IUPAC1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCCOc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-24-20-8-4-17(5-9-20)16-21-12-14-22(15-13-21)18-6-10-19(23-2)11-7-18/h4-11H,3,12-16H2,1-2H3
InChIKeyPYAWLXXHGVOIOR-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.42
Rot. Bonds6

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

1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 763382) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
PubChem CID763382
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCCOc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-24-20-8-4-17(5-9-20)16-21-12-14-22(15-13-21)18-6-10-19(23-2)11-7-18/h4-11H,3,12-16H2,1-2H3
InChIKeyPYAWLXXHGVOIOR-UHFFFAOYSA-N
XLogP3.42
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine (CID 763382) is 1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine is CCOc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is PYAWLXXHGVOIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-24-20-8-4-17(5-9-20)16-21-12-14-22(15-13-21)18-6-10-19(23-2)11-7-18/h4-11H,3,12-16H2,1-2H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 326.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 763382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).