6-tert-butyl-1-methylpiperazin-2-one

C9H18N2O — CID 83695429

IUPAC6-tert-butyl-1-methylpiperazin-2-one
SMILESCN1C(=O)CNCC1C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-9(2,3)7-5-10-6-8(12)11(7)4/h7,10H,5-6H2,1-4H3
InChIKeyZZWBOMKAACXRRC-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds

About 6-tert-butyl-1-methylpiperazin-2-one

6-tert-butyl-1-methylpiperazin-2-one (PubChem CID 83695429) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 6-tert-butyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name6-tert-butyl-1-methylpiperazin-2-one
PubChem CID83695429
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name6-tert-butyl-1-methylpiperazin-2-one
SMILESCN1C(=O)CNCC1C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-9(2,3)7-5-10-6-8(12)11(7)4/h7,10H,5-6H2,1-4H3
InChIKeyZZWBOMKAACXRRC-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-methylpiperazin-2-one?
The IUPAC name of 6-tert-butyl-1-methylpiperazin-2-one (CID 83695429) is 6-tert-butyl-1-methylpiperazin-2-one.
What is the SMILES notation for 6-tert-butyl-1-methylpiperazin-2-one?
The canonical SMILES for 6-tert-butyl-1-methylpiperazin-2-one is CN1C(=O)CNCC1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-methylpiperazin-2-one?
The InChIKey is ZZWBOMKAACXRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)7-5-10-6-8(12)11(7)4/h7,10H,5-6H2,1-4H3.
What are the key properties of 6-tert-butyl-1-methylpiperazin-2-one?
6-tert-butyl-1-methylpiperazin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-methylpiperazin-2-one is sourced from PubChem (CID 83695429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).