4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid

C13H16N2O3 — CID 67328864

IUPAC4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(/C=C/c2ccncc2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(17)15-9-5-13(18,6-10-15)4-1-11-2-7-14-8-3-11/h1-4,7-8,18H,5-6,9-10H2,(H,16,17)/b4-1+
InChIKeyQLUCAAJBKGABFN-DAFODLJHSA-N
MW248.28 g/mol
LogP1.60
Rot. Bonds2

About 4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid

4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid (PubChem CID 67328864) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid
PubChem CID67328864
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(/C=C/c2ccncc2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(17)15-9-5-13(18,6-10-15)4-1-11-2-7-14-8-3-11/h1-4,7-8,18H,5-6,9-10H2,(H,16,17)/b4-1+
InChIKeyQLUCAAJBKGABFN-DAFODLJHSA-N
XLogP1.60
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid (CID 67328864) is 4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(O)(/C=C/c2ccncc2)CC1.
What is the InChIKey of 4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid?
The InChIKey is QLUCAAJBKGABFN-DAFODLJHSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)15-9-5-13(18,6-10-15)4-1-11-2-7-14-8-3-11/h1-4,7-8,18H,5-6,9-10H2,(H,16,17)/b4-1+.
What are the key properties of 4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid?
4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[(E)-2-pyridin-4-ylethenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67328864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).