2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate

C10H21N3O2 — CID 515558

IUPAC2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate
SMILESCN(C)CCOC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H21N3O2/c1-11(2)8-9-15-10(14)13-6-4-12(3)5-7-13/h4-9H2,1-3H3
InChIKeyKWZURQZSYPPMNK-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.07
Rot. Bonds3

About 2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate

2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate (PubChem CID 515558) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate
PubChem CID515558
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate
SMILESCN(C)CCOC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H21N3O2/c1-11(2)8-9-15-10(14)13-6-4-12(3)5-7-13/h4-9H2,1-3H3
InChIKeyKWZURQZSYPPMNK-UHFFFAOYSA-N
XLogP-0.07
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate 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-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate (CID 515558) is 2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate is CN(C)CCOC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is KWZURQZSYPPMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-11(2)8-9-15-10(14)13-6-4-12(3)5-7-13/h4-9H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate?
2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 215.30 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).