2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate

C13H26N4O2 — CID 515569

IUPAC2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(CCOC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O2/c1-14-3-7-16(8-4-14)11-12-19-13(18)17-9-5-15(2)6-10-17/h3-12H2,1-2H3
InChIKeyYGNMHFOMURXHPJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.38
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate

2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate (PubChem CID 515569) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate
PubChem CID515569
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(CCOC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O2/c1-14-3-7-16(8-4-14)11-12-19-13(18)17-9-5-15(2)6-10-17/h3-12H2,1-2H3
InChIKeyYGNMHFOMURXHPJ-UHFFFAOYSA-N
XLogP-0.38
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylpiperazin-1-yl)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

Related Compounds

1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester
CID 199462
Ethyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
CID 669633
Ethyl 4-[(4-ethoxycarbonylpiperazin-1-yl)disulfanyl]piperazine-1-carboxylate
CID 3009815
1-Piperazinecarboxylic acid, 4-(2-morpholinoethyl)-, ethyl ester, hydrochloride
CID 212406
2-Diethylaminoethyl 4-ethylpiperazine-1-carboxylate
CID 515542
2-Diethylaminoethyl 4-isopropylpiperazine-1-carboxylate
CID 515543
2-Diethylaminoethyl 4-butylpiperazine-1-carboxylate
CID 515545
2-Diethylaminoethyl 4-formylpiperazine-1-carboxylate
CID 515554
2-Diethylaminoethyl 4-nitrosopiperazine-1-carboxylate
CID 515555
2-Dimethylaminoethyl 4-methylpiperazine-1-carboxylate
CID 515558
2-(Diisopropylamino)ethyl 4-methylpiperazine-1-carboxylate
CID 515559
2-(1-Piperidyl)ethyl 4-methylpiperazine-1-carboxylate
CID 515566

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate (CID 515569) is 2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate is CN1CCN(CCOC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is YGNMHFOMURXHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-14-3-7-16(8-4-14)11-12-19-13(18)17-9-5-15(2)6-10-17/h3-12H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate?
2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 270.38 g/mol, XLogP of -0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).