tert-butyl 2-hydroxypiperazine-1-carboxylate

C9H18N2O3 — CID 45358354

IUPACtert-butyl 2-hydroxypiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1O
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-5-4-10-6-7(11)12/h7,10,12H,4-6H2,1-3H3
InChIKeyWUKZUNJGKSNVOO-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.15
Rot. Bonds

About tert-butyl 2-hydroxypiperazine-1-carboxylate

tert-butyl 2-hydroxypiperazine-1-carboxylate (PubChem CID 45358354) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl 2-hydroxypiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-hydroxypiperazine-1-carboxylate
PubChem CID45358354
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl 2-hydroxypiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1O
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-5-4-10-6-7(11)12/h7,10,12H,4-6H2,1-3H3
InChIKeyWUKZUNJGKSNVOO-UHFFFAOYSA-N
XLogP0.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-methoxypiperazine-1-carboxylate
CID 101126129
tert-butyl (2S)-2-methylsulfanylpiperazine-1-carboxylate
CID 97170570
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 154966146
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068
tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate
CID 175607983
tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
CID 45073237
tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
CID 156743978
tert-butyl (2R)-2-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 164740203
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228
tert-butyl 2-(methoxycarbamoyl)piperazine-1-carboxylate
CID 86654626

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxypiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-hydroxypiperazine-1-carboxylate (CID 45358354) is tert-butyl 2-hydroxypiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-hydroxypiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-hydroxypiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1O.
What is the InChIKey of tert-butyl 2-hydroxypiperazine-1-carboxylate?
The InChIKey is WUKZUNJGKSNVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-5-4-10-6-7(11)12/h7,10,12H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-hydroxypiperazine-1-carboxylate?
tert-butyl 2-hydroxypiperazine-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxypiperazine-1-carboxylate is sourced from PubChem (CID 45358354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).