4,5-ditert-butyl-1-propylpiperazin-2-one

C15H30N2O — CID 166970143

IUPAC4,5-ditert-butyl-1-propylpiperazin-2-one
SMILESCCCN1CC(C(C)(C)C)N(C(C)(C)C)CC1=O
InChIInChI=1S/C15H30N2O/c1-8-9-16-10-12(14(2,3)4)17(11-13(16)18)15(5,6)7/h12H,8-11H2,1-7H3
InChIKeyXPPZPIVCJJMWJQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.75
Rot. Bonds2

About 4,5-ditert-butyl-1-propylpiperazin-2-one

4,5-ditert-butyl-1-propylpiperazin-2-one (PubChem CID 166970143) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4,5-ditert-butyl-1-propylpiperazin-2-one.

Molecular Properties

Compound Name4,5-ditert-butyl-1-propylpiperazin-2-one
PubChem CID166970143
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4,5-ditert-butyl-1-propylpiperazin-2-one
SMILESCCCN1CC(C(C)(C)C)N(C(C)(C)C)CC1=O
InChIInChI=1S/C15H30N2O/c1-8-9-16-10-12(14(2,3)4)17(11-13(16)18)15(5,6)7/h12H,8-11H2,1-7H3
InChIKeyXPPZPIVCJJMWJQ-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1-propylpiperazin-2-one?
The IUPAC name of 4,5-ditert-butyl-1-propylpiperazin-2-one (CID 166970143) is 4,5-ditert-butyl-1-propylpiperazin-2-one.
What is the SMILES notation for 4,5-ditert-butyl-1-propylpiperazin-2-one?
The canonical SMILES for 4,5-ditert-butyl-1-propylpiperazin-2-one is CCCN1CC(C(C)(C)C)N(C(C)(C)C)CC1=O.
What is the InChIKey of 4,5-ditert-butyl-1-propylpiperazin-2-one?
The InChIKey is XPPZPIVCJJMWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-8-9-16-10-12(14(2,3)4)17(11-13(16)18)15(5,6)7/h12H,8-11H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-1-propylpiperazin-2-one?
4,5-ditert-butyl-1-propylpiperazin-2-one has a molecular weight of 254.42 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1-propylpiperazin-2-one is sourced from PubChem (CID 166970143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).