1,2-ditert-butylpiperidin-4-one

C13H25NO — CID 158896835

IUPAC1,2-ditert-butylpiperidin-4-one
SMILESCC(C)(C)C1CC(=O)CCN1C(C)(C)C
InChIInChI=1S/C13H25NO/c1-12(2,3)11-9-10(15)7-8-14(11)13(4,5)6/h11H,7-9H2,1-6H3
InChIKeyTXJBQMFYSMKHHX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.86
Rot. Bonds

About 1,2-ditert-butylpiperidin-4-one

1,2-ditert-butylpiperidin-4-one (PubChem CID 158896835) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,2-ditert-butylpiperidin-4-one.

Molecular Properties

Compound Name1,2-ditert-butylpiperidin-4-one
PubChem CID158896835
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1,2-ditert-butylpiperidin-4-one
SMILESCC(C)(C)C1CC(=O)CCN1C(C)(C)C
InChIInChI=1S/C13H25NO/c1-12(2,3)11-9-10(15)7-8-14(11)13(4,5)6/h11H,7-9H2,1-6H3
InChIKeyTXJBQMFYSMKHHX-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-2-tert-butylpiperidin-4-one
CID 131871850
(2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide
CID 156775847
(5S)-4,5-ditert-butyl-1-methyl-1,4-diazepane
CID 171587505
1,3-ditert-butyl-2,2-dideuterioaziridine
CID 10920773
2-tert-butyl-1-methylpiperidin-4-one;bis(3-tert-butyl-1-propan-2-ylcyclohexan-1-ol)
CID 158962745
(5S)-4,5-ditert-butyl-1,4-thiazepane
CID 171587771
3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
CID 164802583
6-tert-butyl-1-methylpiperazin-2-one
CID 83695429
bis(1,2-ditert-butylpiperidine);1,2-ditert-butylpyrrolidine;ethane;methane;sulfane
CID 159802433
(2R)-2-tert-butylpiperidin-4-one
CID 86332731
3,4-ditert-butylpiperazin-2-one
CID 59864445
(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpyrrolidine;ethane
CID 163972140

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butylpiperidin-4-one?
The IUPAC name of 1,2-ditert-butylpiperidin-4-one (CID 158896835) is 1,2-ditert-butylpiperidin-4-one.
What is the SMILES notation for 1,2-ditert-butylpiperidin-4-one?
The canonical SMILES for 1,2-ditert-butylpiperidin-4-one is CC(C)(C)C1CC(=O)CCN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butylpiperidin-4-one?
The InChIKey is TXJBQMFYSMKHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)11-9-10(15)7-8-14(11)13(4,5)6/h11H,7-9H2,1-6H3.
What are the key properties of 1,2-ditert-butylpiperidin-4-one?
1,2-ditert-butylpiperidin-4-one has a molecular weight of 211.35 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butylpiperidin-4-one is sourced from PubChem (CID 158896835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).