ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate

C12H24N2O4 — CID 59029959

IUPACethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate
SMILESCCOCC(O)CN1CCN(C(=O)OCC)CC1
InChIInChI=1S/C12H24N2O4/c1-3-17-10-11(15)9-13-5-7-14(8-6-13)12(16)18-4-2/h11,15H,3-10H2,1-2H3
InChIKeySJHFIAFSMCULHW-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.16
Rot. Bonds6

About ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate

ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate (PubChem CID 59029959) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate
PubChem CID59029959
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nameethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate
SMILESCCOCC(O)CN1CCN(C(=O)OCC)CC1
InChIInChI=1S/C12H24N2O4/c1-3-17-10-11(15)9-13-5-7-14(8-6-13)12(16)18-4-2/h11,15H,3-10H2,1-2H3
InChIKeySJHFIAFSMCULHW-UHFFFAOYSA-N
XLogP0.16
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate (CID 59029959) is ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate is CCOCC(O)CN1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate?
The InChIKey is SJHFIAFSMCULHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-3-17-10-11(15)9-13-5-7-14(8-6-13)12(16)18-4-2/h11,15H,3-10H2,1-2H3.
What are the key properties of ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate?
ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate has a molecular weight of 260.33 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carboxylate is sourced from PubChem (CID 59029959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).