ethyl 3,4-dimethylpiperazine-1-carboxylate

C9H18N2O2 — CID 14090600

IUPACethyl 3,4-dimethylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C)C(C)C1
InChIInChI=1S/C9H18N2O2/c1-4-13-9(12)11-6-5-10(3)8(2)7-11/h8H,4-7H2,1-3H3
InChIKeyIXLVOZIBVBLLPN-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.78
Rot. Bonds1

About ethyl 3,4-dimethylpiperazine-1-carboxylate

ethyl 3,4-dimethylpiperazine-1-carboxylate (PubChem CID 14090600) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 3,4-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dimethylpiperazine-1-carboxylate
PubChem CID14090600
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 3,4-dimethylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C)C(C)C1
InChIInChI=1S/C9H18N2O2/c1-4-13-9(12)11-6-5-10(3)8(2)7-11/h8H,4-7H2,1-3H3
InChIKeyIXLVOZIBVBLLPN-UHFFFAOYSA-N
XLogP0.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dimethylpiperazine-1-carboxylate?
The IUPAC name of ethyl 3,4-dimethylpiperazine-1-carboxylate (CID 14090600) is ethyl 3,4-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 3,4-dimethylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 3,4-dimethylpiperazine-1-carboxylate is CCOC(=O)N1CCN(C)C(C)C1.
What is the InChIKey of ethyl 3,4-dimethylpiperazine-1-carboxylate?
The InChIKey is IXLVOZIBVBLLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-13-9(12)11-6-5-10(3)8(2)7-11/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 3,4-dimethylpiperazine-1-carboxylate?
ethyl 3,4-dimethylpiperazine-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 14090600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).