tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate

C11H22N2O3 — CID 12046236

IUPACtert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC[C@@H]1CCO
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-5-12-8-9(13)4-7-14/h9,12,14H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyOOZBHDCFUFVAOH-VIFPVBQESA-N
MW230.31 g/mol
LogP0.58
Rot. Bonds2

About tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate

tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate (PubChem CID 12046236) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
PubChem CID12046236
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC[C@@H]1CCO
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-5-12-8-9(13)4-7-14/h9,12,14H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyOOZBHDCFUFVAOH-VIFPVBQESA-N
XLogP0.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
CID 45073237
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068
tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
CID 156743978
tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate
CID 67773623
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228
tert-butyl (2R)-2-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 164740203
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
tert-butyl 7-(hydroxymethyl)-1,4-diazepane-1-carboxylate
CID 178201698
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205
(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
CID 154966130

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate (CID 12046236) is tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC[C@@H]1CCO.
What is the InChIKey of tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate?
The InChIKey is OOZBHDCFUFVAOH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-5-12-8-9(13)4-7-14/h9,12,14H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate?
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 12046236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).