3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one

C14H25NO2 — CID 115275816

IUPAC3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1(C)C(O)CCCN1C(=O)CCC1CCC1
InChIInChI=1S/C14H25NO2/c1-14(2)12(16)7-4-10-15(14)13(17)9-8-11-5-3-6-11/h11-12,16H,3-10H2,1-2H3
InChIKeyNYDGWVYWZGULKK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.33
Rot. Bonds3

About 3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one

3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 115275816) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one
PubChem CID115275816
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1(C)C(O)CCCN1C(=O)CCC1CCC1
InChIInChI=1S/C14H25NO2/c1-14(2)12(16)7-4-10-15(14)13(17)9-8-11-5-3-6-11/h11-12,16H,3-10H2,1-2H3
InChIKeyNYDGWVYWZGULKK-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 115275797
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
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115275806
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one
CID 112533196
2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269211
1-(3-cyclopentylpropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075961
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 115275458
4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one
CID 115276559
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 3877023
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one
CID 115275751

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one (CID 115275816) is 3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one is CC1(C)C(O)CCCN1C(=O)CCC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is NYDGWVYWZGULKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2)12(16)7-4-10-15(14)13(17)9-8-11-5-3-6-11/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one?
3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 115275816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).