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

C10H20N2O3 — CID 2736436

IUPACethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(C)O)CC1
InChIInChI=1S/C10H20N2O3/c1-3-15-10(14)12-6-4-11(5-7-12)8-9(2)13/h9,13H,3-8H2,1-2H3
InChIKeyCGTNLOJURSDQJO-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.14
Rot. Bonds3

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

ethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate (PubChem CID 2736436) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate
PubChem CID2736436
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(C)O)CC1
InChIInChI=1S/C10H20N2O3/c1-3-15-10(14)12-6-4-11(5-7-12)8-9(2)13/h9,13H,3-8H2,1-2H3
InChIKeyCGTNLOJURSDQJO-UHFFFAOYSA-N
XLogP0.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate (CID 2736436) is ethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(C)O)CC1.
What is the InChIKey of ethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate?
The InChIKey is CGTNLOJURSDQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-15-10(14)12-6-4-11(5-7-12)8-9(2)13/h9,13H,3-8H2,1-2H3.
What are the key properties of ethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate?
ethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxypropyl)piperazine-1-carboxylate is sourced from PubChem (CID 2736436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).