tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate

C14H24N4O2 — CID 169219695

IUPACtert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate
SMILESCc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C
InChIInChI=1S/C14H24N4O2/c1-11-10-15-12(16(11)5)17-6-8-18(9-7-17)13(19)20-14(2,3)4/h10H,6-9H2,1-5H3
InChIKeyIDDBVHNIXHXZGC-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.79
Rot. Bonds1

About tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate

tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate (PubChem CID 169219695) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate
PubChem CID169219695
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate
SMILESCc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C
InChIInChI=1S/C14H24N4O2/c1-11-10-15-12(16(11)5)17-6-8-18(9-7-17)13(19)20-14(2,3)4/h10H,6-9H2,1-5H3
InChIKeyIDDBVHNIXHXZGC-UHFFFAOYSA-N
XLogP1.79
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[5-(hydroxymethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 140897250
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl 4-(4-ethynyl-5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 175400380
tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
CID 10313750
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
CID 59464319
tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
CID 156898070
tert-butyl 4-[5-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67284193
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
CID 143560928
tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 145108987
tert-butyl 4-(2-methylsulfonylpyrimidin-5-yl)piperazine-1-carboxylate
CID 168896507
CID 89017886
CID 89017886

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate (CID 169219695) is tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate is Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C.
What is the InChIKey of tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate?
The InChIKey is IDDBVHNIXHXZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-10-15-12(16(11)5)17-6-8-18(9-7-17)13(19)20-14(2,3)4/h10H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 169219695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).