(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate

C10H20N2O3 — CID 70917063

IUPAC(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
SMILESCC(C)(CCO)OC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O3/c1-10(2,3-8-13)15-9(14)12-6-4-11-5-7-12/h11,13H,3-8H2,1-2H3
InChIKeyUHBXRBBBGHYJNH-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.19
Rot. Bonds3

About (4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate

(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate (PubChem CID 70917063) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate.

Molecular Properties

Compound Name(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
PubChem CID70917063
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
SMILESCC(C)(CCO)OC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O3/c1-10(2,3-8-13)15-9(14)12-6-4-11-5-7-12/h11,13H,3-8H2,1-2H3
InChIKeyUHBXRBBBGHYJNH-UHFFFAOYSA-N
XLogP0.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
CID 162689657
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
(1-amino-2-methylpropan-2-yl) 1,4-diazepane-1-carboxylate
CID 154966126
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid
CID 155064657
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
(3-hydroxy-2,2-dimethylhexan-3-yl) piperazine-1-carboxylate
CID 175464208
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate
CID 175439126
tert-butyl piperazine-1-carboxylate;oxolane
CID 162748151

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate?
The IUPAC name of (4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate (CID 70917063) is (4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate.
What is the SMILES notation for (4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate?
The canonical SMILES for (4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate is CC(C)(CCO)OC(=O)N1CCNCC1.
What is the InChIKey of (4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate?
The InChIKey is UHBXRBBBGHYJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3-8-13)15-9(14)12-6-4-11-5-7-12/h11,13H,3-8H2,1-2H3.
What are the key properties of (4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate?
(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate is sourced from PubChem (CID 70917063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).