3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one

C14H25NO2 — CID 150213622

IUPAC3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
SMILESCCC1CC(O)CCN1C(=O)CCC1CCC1
InChIInChI=1S/C14H25NO2/c1-2-12-10-13(16)8-9-15(12)14(17)7-6-11-4-3-5-11/h11-13,16H,2-10H2,1H3
InChIKeyFRZWLKGXMVXWPK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.33
Rot. Bonds4

About 3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one

3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 150213622) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID150213622
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
SMILESCCC1CC(O)CCN1C(=O)CCC1CCC1
InChIInChI=1S/C14H25NO2/c1-2-12-10-13(16)8-9-15(12)14(17)7-6-11-4-3-5-11/h11-13,16H,2-10H2,1H3
InChIKeyFRZWLKGXMVXWPK-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Cyclohexyl-(4-hydroxypiperidin-1-yl)methanone
CID 28345200
1-[2-(2-Hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 58983339
2-Ethyl-1-(4-hydroxypiperidin-1-yl)octan-1-one
CID 68096803
1-(4-Hydroxypiperidin-1-yl)-2-methylheptan-1-one
CID 68252938
(4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one
CID 71104200
1-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 71104203
3-Cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 111425120
1-(4-Hydroxypiperidin-1-yl)-2-methyloctan-1-one
CID 117835607
(2R)-3-cyclohexyl-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 141756888
(2R)-3-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
CID 141756915
3-Cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 150907819
3-Cyclobutyl-1-(2-ethyl-4-methoxypiperidin-1-yl)propan-1-one
CID 151826922

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one (CID 150213622) is 3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one is CCC1CC(O)CCN1C(=O)CCC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is FRZWLKGXMVXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-12-10-13(16)8-9-15(12)14(17)7-6-11-4-3-5-11/h11-13,16H,2-10H2,1H3.
What are the key properties of 3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one?
3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 150213622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).