ethane;1-(4-ethyl-3-methoxyphenyl)piperazine

C15H26N2O — CID 176935078

IUPACethane;1-(4-ethyl-3-methoxyphenyl)piperazine
SMILESCC.CCc1ccc(N2CCNCC2)cc1OC
InChIInChI=1S/C13H20N2O.C2H6/c1-3-11-4-5-12(10-13(11)16-2)15-8-6-14-7-9-15;1-2/h4-5,10,14H,3,6-9H2,1-2H3;1-2H3
InChIKeyDWWKEHKPIXFWBN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds3

About ethane;1-(4-ethyl-3-methoxyphenyl)piperazine

ethane;1-(4-ethyl-3-methoxyphenyl)piperazine (PubChem CID 176935078) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is ethane;1-(4-ethyl-3-methoxyphenyl)piperazine.

Molecular Properties

Compound Nameethane;1-(4-ethyl-3-methoxyphenyl)piperazine
PubChem CID176935078
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Nameethane;1-(4-ethyl-3-methoxyphenyl)piperazine
SMILESCC.CCc1ccc(N2CCNCC2)cc1OC
InChIInChI=1S/C13H20N2O.C2H6/c1-3-11-4-5-12(10-13(11)16-2)15-8-6-14-7-9-15;1-2/h4-5,10,14H,3,6-9H2,1-2H3;1-2H3
InChIKeyDWWKEHKPIXFWBN-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;1-(4-ethyl-3-methoxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethyl-3-methoxyphenyl)piperazine?
The IUPAC name of ethane;1-(4-ethyl-3-methoxyphenyl)piperazine (CID 176935078) is ethane;1-(4-ethyl-3-methoxyphenyl)piperazine.
What is the SMILES notation for ethane;1-(4-ethyl-3-methoxyphenyl)piperazine?
The canonical SMILES for ethane;1-(4-ethyl-3-methoxyphenyl)piperazine is CC.CCc1ccc(N2CCNCC2)cc1OC.
What is the InChIKey of ethane;1-(4-ethyl-3-methoxyphenyl)piperazine?
The InChIKey is DWWKEHKPIXFWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C2H6/c1-3-11-4-5-12(10-13(11)16-2)15-8-6-14-7-9-15;1-2/h4-5,10,14H,3,6-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-ethyl-3-methoxyphenyl)piperazine?
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine has a molecular weight of 250.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethyl-3-methoxyphenyl)piperazine is sourced from PubChem (CID 176935078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).