5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine

C16H26N2O — CID 64932840

IUPAC5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(c2cccc(OC)c2)C(C(C)C)CN1
InChIInChI=1S/C16H26N2O/c1-5-13-11-18(16(10-17-13)12(2)3)14-7-6-8-15(9-14)19-4/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyYTBDZVDFAZTFMO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.91
Rot. Bonds4

About 5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine

5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine (PubChem CID 64932840) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine
PubChem CID64932840
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(c2cccc(OC)c2)C(C(C)C)CN1
InChIInChI=1S/C16H26N2O/c1-5-13-11-18(16(10-17-13)12(2)3)14-7-6-8-15(9-14)19-4/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyYTBDZVDFAZTFMO-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine 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 5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine (CID 64932840) is 5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine is CCC1CN(c2cccc(OC)c2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine?
The InChIKey is YTBDZVDFAZTFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13-11-18(16(10-17-13)12(2)3)14-7-6-8-15(9-14)19-4/h6-9,12-13,16-17H,5,10-11H2,1-4H3.
What are the key properties of 5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine?
5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64932840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).