4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid

C14H17NO4 — CID 123281434

IUPAC4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid
SMILESO=C(O)C1C(O)c2ccccc2OC12CCNCC2
InChIInChI=1S/C14H17NO4/c16-12-9-3-1-2-4-10(9)19-14(11(12)13(17)18)5-7-15-8-6-14/h1-4,11-12,15-16H,5-8H2,(H,17,18)
InChIKeyVQEZLFFJBQNYNR-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.94
Rot. Bonds1

About 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid

4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid (PubChem CID 123281434) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid
PubChem CID123281434
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid
SMILESO=C(O)C1C(O)c2ccccc2OC12CCNCC2
InChIInChI=1S/C14H17NO4/c16-12-9-3-1-2-4-10(9)19-14(11(12)13(17)18)5-7-15-8-6-14/h1-4,11-12,15-16H,5-8H2,(H,17,18)
InChIKeyVQEZLFFJBQNYNR-UHFFFAOYSA-N
XLogP0.94
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid?
The IUPAC name of 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid (CID 123281434) is 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid.
What is the SMILES notation for 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid?
The canonical SMILES for 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid is O=C(O)C1C(O)c2ccccc2OC12CCNCC2.
What is the InChIKey of 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid?
The InChIKey is VQEZLFFJBQNYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12-9-3-1-2-4-10(9)19-14(11(12)13(17)18)5-7-15-8-6-14/h1-4,11-12,15-16H,5-8H2,(H,17,18).
What are the key properties of 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid?
4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-3-carboxylic acid is sourced from PubChem (CID 123281434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).