ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate

C10H20N2O4 — CID 85186263

IUPACethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)CO)CC1
InChIInChI=1S/C10H20N2O4/c1-2-16-10(15)12-5-3-11(4-6-12)7-9(14)8-13/h9,13-14H,2-8H2,1H3
InChIKeyFYEZWYBNCLRUMV-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.89
Rot. Bonds4

About ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate

ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate (PubChem CID 85186263) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
PubChem CID85186263
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nameethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)CO)CC1
InChIInChI=1S/C10H20N2O4/c1-2-16-10(15)12-5-3-11(4-6-12)7-9(14)8-13/h9,13-14H,2-8H2,1H3
InChIKeyFYEZWYBNCLRUMV-UHFFFAOYSA-N
XLogP-0.89
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid
CID 114011847
ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 107877031
benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 166610780
ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate
CID 107877194
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108522953
ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate
CID 112516726
ethyl 4-[2-(aminomethyl)-3-methylbutyl]piperazine-1-carboxylate
CID 107877808
ethyl 4-[(2S)-2-hydroxy-3-[(3R)-3-methylpent-1-yn-3-yl]oxypropyl]piperazine-1-carboxylate
CID 42589276
ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate
CID 7058807
ethyl 4-[(2S)-2-hydroxy-3-[(1R,2S)-2-methylcyclopentyl]oxypropyl]piperazine-1-carboxylate
CID 29132274

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate (CID 85186263) is ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(O)CO)CC1.
What is the InChIKey of ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate?
The InChIKey is FYEZWYBNCLRUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-2-16-10(15)12-5-3-11(4-6-12)7-9(14)8-13/h9,13-14H,2-8H2,1H3.
What are the key properties of ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate?
ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate has a molecular weight of 232.28 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate is sourced from PubChem (CID 85186263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).