1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine

C19H23ClN2O — CID 792664

IUPAC1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C19H23ClN2O/c1-2-21-10-12-22(13-11-21)15-16-4-3-5-19(14-16)23-18-8-6-17(20)7-9-18/h3-9,14H,2,10-13,15H2,1H3
InChIKeyTWFBQVYJVVPGEV-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.27
Rot. Bonds5

About 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine

1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine (PubChem CID 792664) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine
PubChem CID792664
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C19H23ClN2O/c1-2-21-10-12-22(13-11-21)15-16-4-3-5-19(14-16)23-18-8-6-17(20)7-9-18/h3-9,14H,2,10-13,15H2,1H3
InChIKeyTWFBQVYJVVPGEV-UHFFFAOYSA-N
XLogP4.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine?
The IUPAC name of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine (CID 792664) is 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine is CCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine?
The InChIKey is TWFBQVYJVVPGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-2-21-10-12-22(13-11-21)15-16-4-3-5-19(14-16)23-18-8-6-17(20)7-9-18/h3-9,14H,2,10-13,15H2,1H3.
What are the key properties of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine?
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine has a molecular weight of 330.86 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine is sourced from PubChem (CID 792664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).