ethyl 1-propan-2-ylpiperazine-2-carboxylate

C10H20N2O2 — CID 10559962

IUPACethyl 1-propan-2-ylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(C)C
InChIInChI=1S/C10H20N2O2/c1-4-14-10(13)9-7-11-5-6-12(9)8(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyUXGULSVTGHOHMG-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds3

About ethyl 1-propan-2-ylpiperazine-2-carboxylate

ethyl 1-propan-2-ylpiperazine-2-carboxylate (PubChem CID 10559962) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 1-propan-2-ylpiperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-propan-2-ylpiperazine-2-carboxylate
PubChem CID10559962
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 1-propan-2-ylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(C)C
InChIInChI=1S/C10H20N2O2/c1-4-14-10(13)9-7-11-5-6-12(9)8(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyUXGULSVTGHOHMG-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-propan-2-ylpiperazine-2-carboxylate?
The IUPAC name of ethyl 1-propan-2-ylpiperazine-2-carboxylate (CID 10559962) is ethyl 1-propan-2-ylpiperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-propan-2-ylpiperazine-2-carboxylate?
The canonical SMILES for ethyl 1-propan-2-ylpiperazine-2-carboxylate is CCOC(=O)C1CNCCN1C(C)C.
What is the InChIKey of ethyl 1-propan-2-ylpiperazine-2-carboxylate?
The InChIKey is UXGULSVTGHOHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-14-10(13)9-7-11-5-6-12(9)8(2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of ethyl 1-propan-2-ylpiperazine-2-carboxylate?
ethyl 1-propan-2-ylpiperazine-2-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propan-2-ylpiperazine-2-carboxylate is sourced from PubChem (CID 10559962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).