1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine

C21H28N2O2 — CID 782972

IUPAC1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1
InChIInChI=1S/C21H28N2O2/c1-3-22-11-13-23(14-12-22)16-19-9-10-20(21(15-19)24-2)25-17-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16-17H2,1-2H3
InChIKeyHINGJHXEYGXZPU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.41
Rot. Bonds7

About 1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine

1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 782972) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID782972
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1
InChIInChI=1S/C21H28N2O2/c1-3-22-11-13-23(14-12-22)16-19-9-10-20(21(15-19)24-2)25-17-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16-17H2,1-2H3
InChIKeyHINGJHXEYGXZPU-UHFFFAOYSA-N
XLogP3.41
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine (CID 782972) is 1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine is CCN1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1.
What is the InChIKey of 1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is HINGJHXEYGXZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-22-11-13-23(14-12-22)16-19-9-10-20(21(15-19)24-2)25-17-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16-17H2,1-2H3.
What are the key properties of 1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine?
1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 340.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 782972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).