3-(3,3-dimethylbutan-2-yl)piperidin-4-one

C11H21NO — CID 175437276

IUPAC3-(3,3-dimethylbutan-2-yl)piperidin-4-one
SMILESCC(C1CNCCC1=O)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-8(11(2,3)4)9-7-12-6-5-10(9)13/h8-9,12H,5-7H2,1-4H3
InChIKeyHXGGFSFSLXTPRF-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.85
Rot. Bonds1

About 3-(3,3-dimethylbutan-2-yl)piperidin-4-one

3-(3,3-dimethylbutan-2-yl)piperidin-4-one (PubChem CID 175437276) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)piperidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)piperidin-4-one
PubChem CID175437276
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(3,3-dimethylbutan-2-yl)piperidin-4-one
SMILESCC(C1CNCCC1=O)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-8(11(2,3)4)9-7-12-6-5-10(9)13/h8-9,12H,5-7H2,1-4H3
InChIKeyHXGGFSFSLXTPRF-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzhydrylpiperidin-4-one;hydrochloride
CID 23025370
3-bromopiperidin-4-one;hydrobromide
CID 14196968
3-oct-1-en-4-ylpiperidin-4-one
CID 69353919
3-methoxypiperidin-4-one
CID 53407785
3-(3-methoxy-3-methylbutyl)piperidin-4-one
CID 103034534
tert-butyl 4-oxopiperidine-3-carboxylate;hydrochloride
CID 133061563
4-[(2R)-3,3-dimethylbutan-2-yl]piperidine
CID 146228118
3-bromopiperidin-4-one;hydrochloride
CID 118999019
4-propan-2-yl-1,3-diazepan-5-one
CID 91522647
3-cyclopropylpiperidin-4-one
CID 130812685
3-[(4-tert-butylphenyl)methyl]piperidin-4-one
CID 82294879
(3R)-3-ethoxypiperidin-4-one
CID 124583263

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)piperidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)piperidin-4-one (CID 175437276) is 3-(3,3-dimethylbutan-2-yl)piperidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)piperidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)piperidin-4-one is CC(C1CNCCC1=O)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)piperidin-4-one?
The InChIKey is HXGGFSFSLXTPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(11(2,3)4)9-7-12-6-5-10(9)13/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)piperidin-4-one?
3-(3,3-dimethylbutan-2-yl)piperidin-4-one has a molecular weight of 183.29 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)piperidin-4-one is sourced from PubChem (CID 175437276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).