2,3-dihydroxypropyl piperazine-1-carboxylate

C8H16N2O4 — CID 174287516

IUPAC2,3-dihydroxypropyl piperazine-1-carboxylate
SMILESO=C(OCC(O)CO)N1CCNCC1
InChIInChI=1S/C8H16N2O4/c11-5-7(12)6-14-8(13)10-3-1-9-2-4-10/h7,9,11-12H,1-6H2
InChIKeyOOVMNSPDCUYBOM-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.62
Rot. Bonds3

About 2,3-dihydroxypropyl piperazine-1-carboxylate

2,3-dihydroxypropyl piperazine-1-carboxylate (PubChem CID 174287516) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2,3-dihydroxypropyl piperazine-1-carboxylate.

Molecular Properties

Compound Name2,3-dihydroxypropyl piperazine-1-carboxylate
PubChem CID174287516
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2,3-dihydroxypropyl piperazine-1-carboxylate
SMILESO=C(OCC(O)CO)N1CCNCC1
InChIInChI=1S/C8H16N2O4/c11-5-7(12)6-14-8(13)10-3-1-9-2-4-10/h7,9,11-12H,1-6H2
InChIKeyOOVMNSPDCUYBOM-UHFFFAOYSA-N
XLogP-1.62
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxypropyl 4-octadecanoylpiperazine-1-carboxylate
CID 70367211
bis(3-chloro-2-hydroxypropyl) piperazine-1,4-dicarboxylate
CID 14070104
3-piperazin-1-yloxypropane-1,2-diol
CID 175819854
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
ethyl piperazine-1-carboxylate;formyl chloride
CID 174617176
2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate
CID 142778163
2-(dimethylamino)ethyl piperazine-1-carboxylate
CID 154187930
(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
CID 70917063
2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 97449150

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl piperazine-1-carboxylate?
The IUPAC name of 2,3-dihydroxypropyl piperazine-1-carboxylate (CID 174287516) is 2,3-dihydroxypropyl piperazine-1-carboxylate.
What is the SMILES notation for 2,3-dihydroxypropyl piperazine-1-carboxylate?
The canonical SMILES for 2,3-dihydroxypropyl piperazine-1-carboxylate is O=C(OCC(O)CO)N1CCNCC1.
What is the InChIKey of 2,3-dihydroxypropyl piperazine-1-carboxylate?
The InChIKey is OOVMNSPDCUYBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c11-5-7(12)6-14-8(13)10-3-1-9-2-4-10/h7,9,11-12H,1-6H2.
What are the key properties of 2,3-dihydroxypropyl piperazine-1-carboxylate?
2,3-dihydroxypropyl piperazine-1-carboxylate has a molecular weight of 204.23 g/mol, XLogP of -1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl piperazine-1-carboxylate is sourced from PubChem (CID 174287516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).