2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one

C13H25NO2 — CID 115269393

IUPAC2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CC(O)CCC1(C)C
InChIInChI=1S/C13H25NO2/c1-5-10(6-2)12(16)14-9-11(15)7-8-13(14,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyNBOKMEIWKOIAAJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.18
Rot. Bonds3

About 2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one

2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one (PubChem CID 115269393) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one
PubChem CID115269393
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CC(O)CCC1(C)C
InChIInChI=1S/C13H25NO2/c1-5-10(6-2)12(16)14-9-11(15)7-8-13(14,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyNBOKMEIWKOIAAJ-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115276194
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 115276226
2-(4-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269412
2-(2-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269420
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
CID 115269397
(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115269415
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 115276218
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 115276231
2-ethyl-1-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 134454435
2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 107217153
(4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115276203
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one (CID 115269393) is 2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one is CCC(CC)C(=O)N1CC(O)CCC1(C)C.
What is the InChIKey of 2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one?
The InChIKey is NBOKMEIWKOIAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-10(6-2)12(16)14-9-11(15)7-8-13(14,3)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one?
2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 115269393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).