ethyl 2,3-dimethylpiperazine-2-carboxylate

C9H18N2O2 — CID 91439408

IUPACethyl 2,3-dimethylpiperazine-2-carboxylate
SMILESCCOC(=O)C1(C)NCCNC1C
InChIInChI=1S/C9H18N2O2/c1-4-13-8(12)9(3)7(2)10-5-6-11-9/h7,10-11H,4-6H2,1-3H3
InChIKeyJMXFTDPYSZTZQB-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.11
Rot. Bonds2

About ethyl 2,3-dimethylpiperazine-2-carboxylate

ethyl 2,3-dimethylpiperazine-2-carboxylate (PubChem CID 91439408) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2,3-dimethylpiperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dimethylpiperazine-2-carboxylate
PubChem CID91439408
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 2,3-dimethylpiperazine-2-carboxylate
SMILESCCOC(=O)C1(C)NCCNC1C
InChIInChI=1S/C9H18N2O2/c1-4-13-8(12)9(3)7(2)10-5-6-11-9/h7,10-11H,4-6H2,1-3H3
InChIKeyJMXFTDPYSZTZQB-UHFFFAOYSA-N
XLogP-0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethylpiperazine-2-carboxylate?
The IUPAC name of ethyl 2,3-dimethylpiperazine-2-carboxylate (CID 91439408) is ethyl 2,3-dimethylpiperazine-2-carboxylate.
What is the SMILES notation for ethyl 2,3-dimethylpiperazine-2-carboxylate?
The canonical SMILES for ethyl 2,3-dimethylpiperazine-2-carboxylate is CCOC(=O)C1(C)NCCNC1C.
What is the InChIKey of ethyl 2,3-dimethylpiperazine-2-carboxylate?
The InChIKey is JMXFTDPYSZTZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-13-8(12)9(3)7(2)10-5-6-11-9/h7,10-11H,4-6H2,1-3H3.
What are the key properties of ethyl 2,3-dimethylpiperazine-2-carboxylate?
ethyl 2,3-dimethylpiperazine-2-carboxylate has a molecular weight of 186.25 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethylpiperazine-2-carboxylate is sourced from PubChem (CID 91439408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).