4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid

C15H19NO3 — CID 107150090

IUPAC4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid
SMILESO=C(O)C1(N2CCCCC2)COCc2ccccc21
InChIInChI=1S/C15H19NO3/c17-14(18)15(16-8-4-1-5-9-16)11-19-10-12-6-2-3-7-13(12)15/h2-3,6-7H,1,4-5,8-11H2,(H,17,18)
InChIKeyBSKKEQFTMSPSOZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.98
Rot. Bonds2

About 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid

4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid (PubChem CID 107150090) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid.

Molecular Properties

Compound Name4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid
PubChem CID107150090
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid
SMILESO=C(O)C1(N2CCCCC2)COCc2ccccc21
InChIInChI=1S/C15H19NO3/c17-14(18)15(16-8-4-1-5-9-16)11-19-10-12-6-2-3-7-13(12)15/h2-3,6-7H,1,4-5,8-11H2,(H,17,18)
InChIKeyBSKKEQFTMSPSOZ-UHFFFAOYSA-N
XLogP1.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid?
The IUPAC name of 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid (CID 107150090) is 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid.
What is the SMILES notation for 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid?
The canonical SMILES for 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid is O=C(O)C1(N2CCCCC2)COCc2ccccc21.
What is the InChIKey of 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid?
The InChIKey is BSKKEQFTMSPSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18)15(16-8-4-1-5-9-16)11-19-10-12-6-2-3-7-13(12)15/h2-3,6-7H,1,4-5,8-11H2,(H,17,18).
What are the key properties of 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid?
4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid is sourced from PubChem (CID 107150090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).