5-tert-butyl-1-(2-methylpropyl)piperidin-2-one

C13H25NO — CID 139951314

IUPAC5-tert-butyl-1-(2-methylpropyl)piperidin-2-one
SMILESCC(C)CN1CC(C(C)(C)C)CCC1=O
InChIInChI=1S/C13H25NO/c1-10(2)8-14-9-11(13(3,4)5)6-7-12(14)15/h10-11H,6-9H2,1-5H3
InChIKeyMGSUBGJDJYNNSX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.93
Rot. Bonds2

About 5-tert-butyl-1-(2-methylpropyl)piperidin-2-one

5-tert-butyl-1-(2-methylpropyl)piperidin-2-one (PubChem CID 139951314) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-methylpropyl)piperidin-2-one.

Molecular Properties

Compound Name5-tert-butyl-1-(2-methylpropyl)piperidin-2-one
PubChem CID139951314
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-tert-butyl-1-(2-methylpropyl)piperidin-2-one
SMILESCC(C)CN1CC(C(C)(C)C)CCC1=O
InChIInChI=1S/C13H25NO/c1-10(2)8-14-9-11(13(3,4)5)6-7-12(14)15/h10-11H,6-9H2,1-5H3
InChIKeyMGSUBGJDJYNNSX-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one
CID 104747795
1-(3-bromo-2-methylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511319
5-tert-butyl-1-[2-(2-oxocyclopentyl)ethyl]azepan-2-one
CID 79569324
5-tert-butyl-1-(3-oxopentan-2-yl)azepan-2-one
CID 64866734
1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one
CID 104511575
5-tert-butyl-1-(2-hydroxy-3-methoxypropyl)azepan-2-one
CID 103676736
(5S)-5-tert-butyl-1-[(2S)-2-hydroxy-2-phenylethyl]azepan-2-one
CID 101253981
1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 60935140
1,4,7,10-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 146611403
5-tert-butyl-1-ethylazepan-2-one;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 91250409
(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbaldehyde
CID 97182055

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-methylpropyl)piperidin-2-one?
The IUPAC name of 5-tert-butyl-1-(2-methylpropyl)piperidin-2-one (CID 139951314) is 5-tert-butyl-1-(2-methylpropyl)piperidin-2-one.
What is the SMILES notation for 5-tert-butyl-1-(2-methylpropyl)piperidin-2-one?
The canonical SMILES for 5-tert-butyl-1-(2-methylpropyl)piperidin-2-one is CC(C)CN1CC(C(C)(C)C)CCC1=O.
What is the InChIKey of 5-tert-butyl-1-(2-methylpropyl)piperidin-2-one?
The InChIKey is MGSUBGJDJYNNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)8-14-9-11(13(3,4)5)6-7-12(14)15/h10-11H,6-9H2,1-5H3.
What are the key properties of 5-tert-butyl-1-(2-methylpropyl)piperidin-2-one?
5-tert-butyl-1-(2-methylpropyl)piperidin-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-methylpropyl)piperidin-2-one is sourced from PubChem (CID 139951314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).