(4-ethenyl-4-hydroxypiperidin-1-yl) benzoate

C14H17NO3 — CID 163590605

IUPAC(4-ethenyl-4-hydroxypiperidin-1-yl) benzoate
SMILESC=CC1(O)CCN(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c1-2-14(17)8-10-15(11-9-14)18-13(16)12-6-4-3-5-7-12/h2-7,17H,1,8-11H2
InChIKeyGPFSIOYGUPVGCZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.77
Rot. Bonds3

About (4-ethenyl-4-hydroxypiperidin-1-yl) benzoate

(4-ethenyl-4-hydroxypiperidin-1-yl) benzoate (PubChem CID 163590605) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (4-ethenyl-4-hydroxypiperidin-1-yl) benzoate.

Molecular Properties

Compound Name(4-ethenyl-4-hydroxypiperidin-1-yl) benzoate
PubChem CID163590605
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(4-ethenyl-4-hydroxypiperidin-1-yl) benzoate
SMILESC=CC1(O)CCN(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c1-2-14(17)8-10-15(11-9-14)18-13(16)12-6-4-3-5-7-12/h2-7,17H,1,8-11H2
InChIKeyGPFSIOYGUPVGCZ-UHFFFAOYSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate
CID 126455167
(3,3-dimethoxypyrrolidin-1-yl) benzoate
CID 163774543
(1,1-dioxo-1,4-thiazinan-4-yl) benzoate
CID 12708317
[4-(2-hydroxyethyl)piperidin-1-yl] benzoate
CID 126581762
[7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate
CID 174256242
(3,3,5,5-tetramethylpiperazin-1-yl) benzoate
CID 18629568
(5-formyl-3,6-dihydro-2H-pyridin-1-yl) benzoate
CID 54262535
ethenyl benzoate
CID 158178912
[4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate
CID 13078339
[4-(3,5-dimethyl-1-adamantyl)piperazin-1-yl] benzoate
CID 174683721
[4-(benzylsulfamoyl)piperidin-1-yl] benzoate
CID 147007138
[(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate
CID 163821924

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-4-hydroxypiperidin-1-yl) benzoate?
The IUPAC name of (4-ethenyl-4-hydroxypiperidin-1-yl) benzoate (CID 163590605) is (4-ethenyl-4-hydroxypiperidin-1-yl) benzoate.
What is the SMILES notation for (4-ethenyl-4-hydroxypiperidin-1-yl) benzoate?
The canonical SMILES for (4-ethenyl-4-hydroxypiperidin-1-yl) benzoate is C=CC1(O)CCN(OC(=O)c2ccccc2)CC1.
What is the InChIKey of (4-ethenyl-4-hydroxypiperidin-1-yl) benzoate?
The InChIKey is GPFSIOYGUPVGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-14(17)8-10-15(11-9-14)18-13(16)12-6-4-3-5-7-12/h2-7,17H,1,8-11H2.
What are the key properties of (4-ethenyl-4-hydroxypiperidin-1-yl) benzoate?
(4-ethenyl-4-hydroxypiperidin-1-yl) benzoate has a molecular weight of 247.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-4-hydroxypiperidin-1-yl) benzoate is sourced from PubChem (CID 163590605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).