tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate

C14H24N2O4 — CID 18394370

IUPACtert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C[C@H]2CCC(=O)O2)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)16-8-6-15(7-9-16)10-11-4-5-12(17)19-11/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyOHHSYQLXIHBXQV-LLVKDONJSA-N
MW284.36 g/mol
LogP1.24
Rot. Bonds2

About tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate

tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate (PubChem CID 18394370) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate
PubChem CID18394370
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C[C@H]2CCC(=O)O2)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)16-8-6-15(7-9-16)10-11-4-5-12(17)19-11/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyOHHSYQLXIHBXQV-LLVKDONJSA-N
XLogP1.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate (CID 18394370) is tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C[C@H]2CCC(=O)O2)CC1.
What is the InChIKey of tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate?
The InChIKey is OHHSYQLXIHBXQV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)16-8-6-15(7-9-16)10-11-4-5-12(17)19-11/h11H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate?
tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2R)-5-oxooxolan-2-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 18394370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).