tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate

C11H22N2O3 — CID 174176969

IUPACtert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate
SMILESCC[C@@H]1CNC(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-8-6-12-9(14)7-13(8)10(15)16-11(2,3)4/h8-9,12,14H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyHTIZKTXEPJEGRO-VEDVMXKPSA-N
MW230.31 g/mol
LogP0.92
Rot. Bonds1

About tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate

tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate (PubChem CID 174176969) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate
PubChem CID174176969
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate
SMILESCC[C@@H]1CNC(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-8-6-12-9(14)7-13(8)10(15)16-11(2,3)4/h8-9,12,14H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyHTIZKTXEPJEGRO-VEDVMXKPSA-N
XLogP0.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-ethyl-5-methylpiperazine-1-carboxylate
CID 175596184
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl (2R,5R)-2-ethyl-5-[(1R)-1-hydroxyethyl]piperazine-1-carboxylate
CID 171480223
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-(chloromethyl)aziridine-1-carboxylate
CID 170382164
tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate
CID 156757894
tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate
CID 102568585
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
tert-butyl (2S,4S)-2-(bromomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 170900143
tert-butyl (2R,5S)-5-[(1S)-2-(benzenesulfonyl)-2,2-difluoro-1-hydroxyethyl]-2-ethylpiperazine-1-carboxylate
CID 174154388
tert-butyl (2S,4R)-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 97103095
tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate
CID 134791338

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate (CID 174176969) is tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate is CC[C@@H]1CNC(O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate?
The InChIKey is HTIZKTXEPJEGRO-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-8-6-12-9(14)7-13(8)10(15)16-11(2,3)4/h8-9,12,14H,5-7H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate?
tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate is sourced from PubChem (CID 174176969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).