ethyl 1,4-dimethylpiperazine-2-carboxylate

C9H18N2O2 — CID 2736419

IUPACethyl 1,4-dimethylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C)CCN1C
InChIInChI=1S/C9H18N2O2/c1-4-13-9(12)8-7-10(2)5-6-11(8)3/h8H,4-7H2,1-3H3
InChIKeyRRXUQLWWJFBPKT-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.20
Rot. Bonds2

About ethyl 1,4-dimethylpiperazine-2-carboxylate

ethyl 1,4-dimethylpiperazine-2-carboxylate (PubChem CID 2736419) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 1,4-dimethylpiperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dimethylpiperazine-2-carboxylate
PubChem CID2736419
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 1,4-dimethylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C)CCN1C
InChIInChI=1S/C9H18N2O2/c1-4-13-9(12)8-7-10(2)5-6-11(8)3/h8H,4-7H2,1-3H3
InChIKeyRRXUQLWWJFBPKT-UHFFFAOYSA-N
XLogP-0.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dimethylpiperazine-2-carboxylate?
The IUPAC name of ethyl 1,4-dimethylpiperazine-2-carboxylate (CID 2736419) is ethyl 1,4-dimethylpiperazine-2-carboxylate.
What is the SMILES notation for ethyl 1,4-dimethylpiperazine-2-carboxylate?
The canonical SMILES for ethyl 1,4-dimethylpiperazine-2-carboxylate is CCOC(=O)C1CN(C)CCN1C.
What is the InChIKey of ethyl 1,4-dimethylpiperazine-2-carboxylate?
The InChIKey is RRXUQLWWJFBPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-13-9(12)8-7-10(2)5-6-11(8)3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 1,4-dimethylpiperazine-2-carboxylate?
ethyl 1,4-dimethylpiperazine-2-carboxylate has a molecular weight of 186.25 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dimethylpiperazine-2-carboxylate is sourced from PubChem (CID 2736419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).