tert-butyl acetate;piperazine-1-carboxylic acid

C11H22N2O4 — CID 167582748

IUPACtert-butyl acetate;piperazine-1-carboxylic acid
SMILESCC(=O)OC(C)(C)C.O=C(O)N1CCNCC1
InChIInChI=1S/C6H12O2.C5H10N2O2/c1-5(7)8-6(2,3)4;8-5(9)7-3-1-6-2-4-7/h1-4H3;6H,1-4H2,(H,8,9)
InChIKeyHJXJZPODNCFNAP-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.92
Rot. Bonds

About tert-butyl acetate;piperazine-1-carboxylic acid

tert-butyl acetate;piperazine-1-carboxylic acid (PubChem CID 167582748) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl acetate;piperazine-1-carboxylic acid.

Molecular Properties

Compound Nametert-butyl acetate;piperazine-1-carboxylic acid
PubChem CID167582748
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nametert-butyl acetate;piperazine-1-carboxylic acid
SMILESCC(=O)OC(C)(C)C.O=C(O)N1CCNCC1
InChIInChI=1S/C6H12O2.C5H10N2O2/c1-5(7)8-6(2,3)4;8-5(9)7-3-1-6-2-4-7/h1-4H3;6H,1-4H2,(H,8,9)
InChIKeyHJXJZPODNCFNAP-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ditert-butyl carbonate;piperazine-1-carboxylic acid
CID 161485280
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
tert-butyl acetate
CID 159704758
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
tert-butyl acetate;tert-butyl 4,7-dimethyl-1,4,7-triazonane-1-carboxylate;tert-butyl 1,4,7-triazonane-1-carboxylate;dichloromethane;1,4-dimethyl-1,4,7-triazonane;O-methylhydroxylamine;1,4,7-triazonane
CID 159973496
2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid
CID 155064657
tert-butyl piperazine-1-carboxylate;piperidine-1-carbaldehyde
CID 144843381
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269

Frequently Asked Questions

What is the IUPAC name of tert-butyl acetate;piperazine-1-carboxylic acid?
The IUPAC name of tert-butyl acetate;piperazine-1-carboxylic acid (CID 167582748) is tert-butyl acetate;piperazine-1-carboxylic acid.
What is the SMILES notation for tert-butyl acetate;piperazine-1-carboxylic acid?
The canonical SMILES for tert-butyl acetate;piperazine-1-carboxylic acid is CC(=O)OC(C)(C)C.O=C(O)N1CCNCC1.
What is the InChIKey of tert-butyl acetate;piperazine-1-carboxylic acid?
The InChIKey is HJXJZPODNCFNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C5H10N2O2/c1-5(7)8-6(2,3)4;8-5(9)7-3-1-6-2-4-7/h1-4H3;6H,1-4H2,(H,8,9).
What are the key properties of tert-butyl acetate;piperazine-1-carboxylic acid?
tert-butyl acetate;piperazine-1-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl acetate;piperazine-1-carboxylic acid is sourced from PubChem (CID 167582748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).