1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one

C13H23NO2 — CID 122675581

IUPAC1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
SMILESC=C(C)N1CCC(O)(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H23NO2/c1-10(2)14-8-6-13(16,7-9-14)11(15)12(3,4)5/h16H,1,6-9H2,2-5H3
InChIKeyWUFOEOJCFXAPRP-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds2

About 1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one

1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one (PubChem CID 122675581) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
PubChem CID122675581
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
SMILESC=C(C)N1CCC(O)(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H23NO2/c1-10(2)14-8-6-13(16,7-9-14)11(15)12(3,4)5/h16H,1,6-9H2,2-5H3
InChIKeyWUFOEOJCFXAPRP-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one (CID 122675581) is 1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one is C=C(C)N1CCC(O)(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
The InChIKey is WUFOEOJCFXAPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)14-8-6-13(16,7-9-14)11(15)12(3,4)5/h16H,1,6-9H2,2-5H3.
What are the key properties of 1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 122675581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).