2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine

C14H28N2O — CID 114120400

IUPAC2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1C1CC(OC)C1(C)C
InChIInChI=1S/C14H28N2O/c1-6-11-8-15-10(2)9-16(11)12-7-13(17-5)14(12,3)4/h10-13,15H,6-9H2,1-5H3
InChIKeyPGWXTGQLNDVJMB-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds3

About 2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine

2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine (PubChem CID 114120400) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine
PubChem CID114120400
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1C1CC(OC)C1(C)C
InChIInChI=1S/C14H28N2O/c1-6-11-8-15-10(2)9-16(11)12-7-13(17-5)14(12,3)4/h10-13,15H,6-9H2,1-5H3
InChIKeyPGWXTGQLNDVJMB-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine 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 2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine?
The IUPAC name of 2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine (CID 114120400) is 2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine.
What is the SMILES notation for 2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine?
The canonical SMILES for 2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine is CCC1CNC(C)CN1C1CC(OC)C1(C)C.
What is the InChIKey of 2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine?
The InChIKey is PGWXTGQLNDVJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-11-8-15-10(2)9-16(11)12-7-13(17-5)14(12,3)4/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine?
2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpiperazine is sourced from PubChem (CID 114120400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).