6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid

C14H17NO5 — CID 82667584

IUPAC6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)C(O)CC1c1cccc2c1OCO2
InChIInChI=1S/C14H17NO5/c1-15-6-9(14(17)18)11(16)5-10(15)8-3-2-4-12-13(8)20-7-19-12/h2-4,9-11,16H,5-7H2,1H3,(H,17,18)
InChIKeyUQPVHXMDHQGZJO-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.85
Rot. Bonds2

About 6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid

6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid (PubChem CID 82667584) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid
PubChem CID82667584
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)C(O)CC1c1cccc2c1OCO2
InChIInChI=1S/C14H17NO5/c1-15-6-9(14(17)18)11(16)5-10(15)8-3-2-4-12-13(8)20-7-19-12/h2-4,9-11,16H,5-7H2,1H3,(H,17,18)
InChIKeyUQPVHXMDHQGZJO-UHFFFAOYSA-N
XLogP0.85
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid?
The IUPAC name of 6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid (CID 82667584) is 6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid is CN1CC(C(=O)O)C(O)CC1c1cccc2c1OCO2.
What is the InChIKey of 6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid?
The InChIKey is UQPVHXMDHQGZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-15-6-9(14(17)18)11(16)5-10(15)8-3-2-4-12-13(8)20-7-19-12/h2-4,9-11,16H,5-7H2,1H3,(H,17,18).
What are the key properties of 6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid?
6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 82667584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).