2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone

C13H23NO2 — CID 115276015

IUPAC2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CC(O)CCN1C(=O)CC1CCC1
InChIInChI=1S/C13H23NO2/c1-13(2)9-11(15)6-7-14(13)12(16)8-10-4-3-5-10/h10-11,15H,3-9H2,1-2H3
InChIKeyWOLJOIVRRIDVFO-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.94
Rot. Bonds2

About 2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone

2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone (PubChem CID 115276015) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
PubChem CID115276015
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CC(O)CCN1C(=O)CC1CCC1
InChIInChI=1S/C13H23NO2/c1-13(2)9-11(15)6-7-14(13)12(16)8-10-4-3-5-10/h10-11,15H,3-9H2,1-2H3
InChIKeyWOLJOIVRRIDVFO-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276010
1-(4-amino-2,2-dimethylpiperidin-1-yl)-2-cyclopentylethanone
CID 115276154
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one
CID 115276032
2-cyclopentyl-1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone
CID 115275051
1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one
CID 115276179
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
2-cyclohexyl-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 65463150
1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one
CID 83696910
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
CID 115276022
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115276035
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one
CID 115275751
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 115276226

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone (CID 115276015) is 2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone is CC1(C)CC(O)CCN1C(=O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone?
The InChIKey is WOLJOIVRRIDVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2)9-11(15)6-7-14(13)12(16)8-10-4-3-5-10/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone?
2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone has a molecular weight of 225.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 115276015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).