4-piperidin-1-ylquinoline-2-carboxylic acid

C15H16N2O2 — CID 55222187

IUPAC4-piperidin-1-ylquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCCCC2)c2ccccc2n1
InChIInChI=1S/C15H16N2O2/c18-15(19)13-10-14(17-8-4-1-5-9-17)11-6-2-3-7-12(11)16-13/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,19)
InChIKeyRNKMXNJPZXZVAO-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.92
Rot. Bonds2

About 4-piperidin-1-ylquinoline-2-carboxylic acid

4-piperidin-1-ylquinoline-2-carboxylic acid (PubChem CID 55222187) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-piperidin-1-ylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-piperidin-1-ylquinoline-2-carboxylic acid
PubChem CID55222187
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-piperidin-1-ylquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCCCC2)c2ccccc2n1
InChIInChI=1S/C15H16N2O2/c18-15(19)13-10-14(17-8-4-1-5-9-17)11-6-2-3-7-12(11)16-13/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,19)
InChIKeyRNKMXNJPZXZVAO-UHFFFAOYSA-N
XLogP2.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylquinoline-2-carboxylic acid?
The IUPAC name of 4-piperidin-1-ylquinoline-2-carboxylic acid (CID 55222187) is 4-piperidin-1-ylquinoline-2-carboxylic acid.
What is the SMILES notation for 4-piperidin-1-ylquinoline-2-carboxylic acid?
The canonical SMILES for 4-piperidin-1-ylquinoline-2-carboxylic acid is O=C(O)c1cc(N2CCCCC2)c2ccccc2n1.
What is the InChIKey of 4-piperidin-1-ylquinoline-2-carboxylic acid?
The InChIKey is RNKMXNJPZXZVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)13-10-14(17-8-4-1-5-9-17)11-6-2-3-7-12(11)16-13/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,19).
What are the key properties of 4-piperidin-1-ylquinoline-2-carboxylic acid?
4-piperidin-1-ylquinoline-2-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylquinoline-2-carboxylic acid is sourced from PubChem (CID 55222187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).