ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate

C12H22N2O3 — CID 11265004

IUPACethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H22N2O3/c1-2-16-12(15)14-7-5-13(6-8-14)10-11-4-3-9-17-11/h11H,2-10H2,1H3
InChIKeyWABNEICHBRBOCM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.94
Rot. Bonds3

About ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate

ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate (PubChem CID 11265004) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate
PubChem CID11265004
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H22N2O3/c1-2-16-12(15)14-7-5-13(6-8-14)10-11-4-3-9-17-11/h11H,2-10H2,1H3
InChIKeyWABNEICHBRBOCM-UHFFFAOYSA-N
XLogP0.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate (CID 11265004) is ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate?
The InChIKey is WABNEICHBRBOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-16-12(15)14-7-5-13(6-8-14)10-11-4-3-9-17-11/h11H,2-10H2,1H3.
What are the key properties of ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate?
ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 11265004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).