1-tert-butyl-2,5-dimethylpiperidin-3-one

C11H21NO — CID 4243674

IUPAC1-tert-butyl-2,5-dimethylpiperidin-3-one
SMILESCC1CC(=O)C(C)N(C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-8-6-10(13)9(2)12(7-8)11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyZWDKYWSPQOCYQC-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.08
Rot. Bonds

About 1-tert-butyl-2,5-dimethylpiperidin-3-one

1-tert-butyl-2,5-dimethylpiperidin-3-one (PubChem CID 4243674) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-tert-butyl-2,5-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-tert-butyl-2,5-dimethylpiperidin-3-one
PubChem CID4243674
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-tert-butyl-2,5-dimethylpiperidin-3-one
SMILESCC1CC(=O)C(C)N(C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-8-6-10(13)9(2)12(7-8)11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyZWDKYWSPQOCYQC-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,5-dimethylpiperidin-3-one?
The IUPAC name of 1-tert-butyl-2,5-dimethylpiperidin-3-one (CID 4243674) is 1-tert-butyl-2,5-dimethylpiperidin-3-one.
What is the SMILES notation for 1-tert-butyl-2,5-dimethylpiperidin-3-one?
The canonical SMILES for 1-tert-butyl-2,5-dimethylpiperidin-3-one is CC1CC(=O)C(C)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-2,5-dimethylpiperidin-3-one?
The InChIKey is ZWDKYWSPQOCYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-6-10(13)9(2)12(7-8)11(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-2,5-dimethylpiperidin-3-one?
1-tert-butyl-2,5-dimethylpiperidin-3-one has a molecular weight of 183.29 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-dimethylpiperidin-3-one is sourced from PubChem (CID 4243674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).