4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid

C14H17NO4 — CID 118691442

IUPAC4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1c1cccc2c1OCCO2
InChIInChI=1S/C14H17NO4/c16-14(17)11-8-15-5-4-9(11)10-2-1-3-12-13(10)19-7-6-18-12/h1-3,9,11,15H,4-8H2,(H,16,17)
InChIKeyRKXIRLBVRRTXPE-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.24
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid

4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid (PubChem CID 118691442) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid
PubChem CID118691442
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1c1cccc2c1OCCO2
InChIInChI=1S/C14H17NO4/c16-14(17)11-8-15-5-4-9(11)10-2-1-3-12-13(10)19-7-6-18-12/h1-3,9,11,15H,4-8H2,(H,16,17)
InChIKeyRKXIRLBVRRTXPE-UHFFFAOYSA-N
XLogP1.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid (CID 118691442) is 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid is O=C(O)C1CNCCC1c1cccc2c1OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid?
The InChIKey is RKXIRLBVRRTXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-14(17)11-8-15-5-4-9(11)10-2-1-3-12-13(10)19-7-6-18-12/h1-3,9,11,15H,4-8H2,(H,16,17).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid?
4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 118691442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).