tert-butyl 3-propan-2-ylpiperazine-1-carboxylate

C12H24N2O2 — CID 44558596

IUPACtert-butyl 3-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C12H24N2O2/c1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyUHLAQCKNCBYTIF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds1

About tert-butyl 3-propan-2-ylpiperazine-1-carboxylate

tert-butyl 3-propan-2-ylpiperazine-1-carboxylate (PubChem CID 44558596) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl 3-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-propan-2-ylpiperazine-1-carboxylate
PubChem CID44558596
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl 3-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C12H24N2O2/c1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyUHLAQCKNCBYTIF-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-propan-2-ylpiperazine-1-carboxylate (CID 44558596) is tert-butyl 3-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-propan-2-ylpiperazine-1-carboxylate is CC(C)C1CN(C(=O)OC(C)(C)C)CCN1.
What is the InChIKey of tert-butyl 3-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is UHLAQCKNCBYTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of tert-butyl 3-propan-2-ylpiperazine-1-carboxylate?
tert-butyl 3-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 44558596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).