tert-butyl 4-tert-butylpiperazine-1-carboxylate

C13H26N2O2 — CID 22972579

IUPACtert-butyl 4-tert-butylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6/h7-10H2,1-6H3
InChIKeyDJLDPRLFNODRBL-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.34
Rot. Bonds

About tert-butyl 4-tert-butylpiperazine-1-carboxylate

tert-butyl 4-tert-butylpiperazine-1-carboxylate (PubChem CID 22972579) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 4-tert-butylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-tert-butylpiperazine-1-carboxylate
PubChem CID22972579
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 4-tert-butylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6/h7-10H2,1-6H3
InChIKeyDJLDPRLFNODRBL-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-tert-butylpiperazine-1-carboxylate (CID 22972579) is tert-butyl 4-tert-butylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-tert-butylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-tert-butylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-tert-butylpiperazine-1-carboxylate?
The InChIKey is DJLDPRLFNODRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6/h7-10H2,1-6H3.
What are the key properties of tert-butyl 4-tert-butylpiperazine-1-carboxylate?
tert-butyl 4-tert-butylpiperazine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butylpiperazine-1-carboxylate is sourced from PubChem (CID 22972579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).