1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid

C15H16N2O3 — CID 43343423

IUPAC1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(N2CCC(O)CC2)n1
InChIInChI=1S/C15H16N2O3/c18-11-5-7-17(8-6-11)14-12-4-2-1-3-10(12)9-13(16-14)15(19)20/h1-4,9,11,18H,5-8H2,(H,19,20)
InChIKeyGHACNIOWRNDLNV-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.89
Rot. Bonds2

About 1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid

1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid (PubChem CID 43343423) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid
PubChem CID43343423
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(N2CCC(O)CC2)n1
InChIInChI=1S/C15H16N2O3/c18-11-5-7-17(8-6-11)14-12-4-2-1-3-10(12)9-13(16-14)15(19)20/h1-4,9,11,18H,5-8H2,(H,19,20)
InChIKeyGHACNIOWRNDLNV-UHFFFAOYSA-N
XLogP1.89
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid (CID 43343423) is 1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid is O=C(O)c1cc2ccccc2c(N2CCC(O)CC2)n1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid?
The InChIKey is GHACNIOWRNDLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-11-5-7-17(8-6-11)14-12-4-2-1-3-10(12)9-13(16-14)15(19)20/h1-4,9,11,18H,5-8H2,(H,19,20).
What are the key properties of 1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid?
1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)isoquinoline-3-carboxylic acid is sourced from PubChem (CID 43343423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).