ethyl 4-methylpiperazine-2-carboxylate

C8H16N2O2 — CID 12558522

IUPACethyl 4-methylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C)CCN1
InChIInChI=1S/C8H16N2O2/c1-3-12-8(11)7-6-10(2)5-4-9-7/h7,9H,3-6H2,1-2H3
InChIKeyNJUYOQHZQCEQHF-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.55
Rot. Bonds2

About ethyl 4-methylpiperazine-2-carboxylate

ethyl 4-methylpiperazine-2-carboxylate (PubChem CID 12558522) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl 4-methylpiperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methylpiperazine-2-carboxylate
PubChem CID12558522
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl 4-methylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C)CCN1
InChIInChI=1S/C8H16N2O2/c1-3-12-8(11)7-6-10(2)5-4-9-7/h7,9H,3-6H2,1-2H3
InChIKeyNJUYOQHZQCEQHF-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-benzoylpiperazine-2-carboxylate
CID 18412087
ethyl piperazine-2-carboxylate
CID 10633257
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735
ethyl 2-(3-ethoxycarbonylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 58844943
ethyl 4-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
CID 10360649
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl (3R)-morpholine-3-carboxylate
CID 46839508
(4-ethylphenyl)-(4-methylpiperazin-2-yl)methanone
CID 116919783
ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate
CID 162365458
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl (2S,4R)-4-(diethoxyphosphorylmethyl)piperidine-2-carboxylate
CID 54250756

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methylpiperazine-2-carboxylate?
The IUPAC name of ethyl 4-methylpiperazine-2-carboxylate (CID 12558522) is ethyl 4-methylpiperazine-2-carboxylate.
What is the SMILES notation for ethyl 4-methylpiperazine-2-carboxylate?
The canonical SMILES for ethyl 4-methylpiperazine-2-carboxylate is CCOC(=O)C1CN(C)CCN1.
What is the InChIKey of ethyl 4-methylpiperazine-2-carboxylate?
The InChIKey is NJUYOQHZQCEQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-12-8(11)7-6-10(2)5-4-9-7/h7,9H,3-6H2,1-2H3.
What are the key properties of ethyl 4-methylpiperazine-2-carboxylate?
ethyl 4-methylpiperazine-2-carboxylate has a molecular weight of 172.23 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methylpiperazine-2-carboxylate is sourced from PubChem (CID 12558522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).