3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine

C13H26N2O2 — CID 114102116

IUPAC3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine
SMILESCOCC(CN1CCNC(C)(C2CC2)C1)OC
InChIInChI=1S/C13H26N2O2/c1-13(11-4-5-11)10-15(7-6-14-13)8-12(17-3)9-16-2/h11-12,14H,4-10H2,1-3H3
InChIKeyLLVZXPDVTIEAAH-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.72
Rot. Bonds6

About 3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine

3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine (PubChem CID 114102116) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine
PubChem CID114102116
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine
SMILESCOCC(CN1CCNC(C)(C2CC2)C1)OC
InChIInChI=1S/C13H26N2O2/c1-13(11-4-5-11)10-15(7-6-14-13)8-12(17-3)9-16-2/h11-12,14H,4-10H2,1-3H3
InChIKeyLLVZXPDVTIEAAH-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-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 3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine?
The IUPAC name of 3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine (CID 114102116) is 3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine.
What is the SMILES notation for 3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine?
The canonical SMILES for 3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine is COCC(CN1CCNC(C)(C2CC2)C1)OC.
What is the InChIKey of 3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine?
The InChIKey is LLVZXPDVTIEAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(11-4-5-11)10-15(7-6-14-13)8-12(17-3)9-16-2/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine?
3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine has a molecular weight of 242.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,3-dimethoxypropyl)-3-methylpiperazine is sourced from PubChem (CID 114102116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).