3,3-dimethyl-1-piperidin-2-ylbutan-2-one

C11H21NO — CID 67991373

IUPAC3,3-dimethyl-1-piperidin-2-ylbutan-2-one
SMILESCC(C)(C)C(=O)CC1CCCCN1
InChIInChI=1S/C11H21NO/c1-11(2,3)10(13)8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3
InChIKeyCNDZKIDLFQJMCH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.13
Rot. Bonds2

About 3,3-dimethyl-1-piperidin-2-ylbutan-2-one

3,3-dimethyl-1-piperidin-2-ylbutan-2-one (PubChem CID 67991373) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-piperidin-2-ylbutan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-piperidin-2-ylbutan-2-one
PubChem CID67991373
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3,3-dimethyl-1-piperidin-2-ylbutan-2-one
SMILESCC(C)(C)C(=O)CC1CCCCN1
InChIInChI=1S/C11H21NO/c1-11(2,3)10(13)8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3
InChIKeyCNDZKIDLFQJMCH-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-piperidin-2-ylbutan-2-one?
The IUPAC name of 3,3-dimethyl-1-piperidin-2-ylbutan-2-one (CID 67991373) is 3,3-dimethyl-1-piperidin-2-ylbutan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-piperidin-2-ylbutan-2-one?
The canonical SMILES for 3,3-dimethyl-1-piperidin-2-ylbutan-2-one is CC(C)(C)C(=O)CC1CCCCN1.
What is the InChIKey of 3,3-dimethyl-1-piperidin-2-ylbutan-2-one?
The InChIKey is CNDZKIDLFQJMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)10(13)8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-piperidin-2-ylbutan-2-one?
3,3-dimethyl-1-piperidin-2-ylbutan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-piperidin-2-ylbutan-2-one is sourced from PubChem (CID 67991373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).