1-tert-butyl-6-propan-2-ylpiperidin-2-one

C12H23NO — CID 139951302

IUPAC1-tert-butyl-6-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCCC(=O)N1C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(2)10-7-6-8-11(14)13(10)12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyWCTZYAYMKMAQGH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.82
Rot. Bonds1

About 1-tert-butyl-6-propan-2-ylpiperidin-2-one

1-tert-butyl-6-propan-2-ylpiperidin-2-one (PubChem CID 139951302) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-tert-butyl-6-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-6-propan-2-ylpiperidin-2-one
PubChem CID139951302
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-tert-butyl-6-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCCC(=O)N1C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(2)10-7-6-8-11(14)13(10)12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyWCTZYAYMKMAQGH-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one
CID 58465109
1,6-di(propan-2-yl)piperidin-2-one;ethane
CID 167704362
1-(2-hydroxyethyl)-7-propan-2-ylazepan-2-one
CID 10679504
1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one
CID 137448915
1-tert-butyl-5-oxopyrrolidine-2-carboxamide
CID 76802841
1-tert-butyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 14509069
6-amino-1-tert-butylazepan-2-one
CID 84659748
3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-one
CID 79619514
1-amino-5-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 174891244
6-amino-1-tert-butyl-7-(4,5-dibromothiophen-2-yl)azepan-2-one
CID 102844711
2-(3-amino-1-tert-butyl-7-oxoazepan-2-yl)benzonitrile
CID 107936957
7-ethyl-1-methyl-6-propan-2-ylazepan-2-one
CID 155200892

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-propan-2-ylpiperidin-2-one?
The IUPAC name of 1-tert-butyl-6-propan-2-ylpiperidin-2-one (CID 139951302) is 1-tert-butyl-6-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 1-tert-butyl-6-propan-2-ylpiperidin-2-one?
The canonical SMILES for 1-tert-butyl-6-propan-2-ylpiperidin-2-one is CC(C)C1CCCC(=O)N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-propan-2-ylpiperidin-2-one?
The InChIKey is WCTZYAYMKMAQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)10-7-6-8-11(14)13(10)12(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-6-propan-2-ylpiperidin-2-one?
1-tert-butyl-6-propan-2-ylpiperidin-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 139951302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).