1-quinolin-2-ylpiperidine-4-carboxylic acid

C15H16N2O2 — CID 16785327

IUPAC1-quinolin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C15H16N2O2/c18-15(19)12-7-9-17(10-8-12)14-6-5-11-3-1-2-4-13(11)16-14/h1-6,12H,7-10H2,(H,18,19)
InChIKeyQBRQBFOWEPTQAQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.54
Rot. Bonds2

About 1-quinolin-2-ylpiperidine-4-carboxylic acid

1-quinolin-2-ylpiperidine-4-carboxylic acid (PubChem CID 16785327) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-quinolin-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-quinolin-2-ylpiperidine-4-carboxylic acid
PubChem CID16785327
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-quinolin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C15H16N2O2/c18-15(19)12-7-9-17(10-8-12)14-6-5-11-3-1-2-4-13(11)16-14/h1-6,12H,7-10H2,(H,18,19)
InChIKeyQBRQBFOWEPTQAQ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-quinolin-2-ylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-quinolin-2-ylpiperidine-4-carboxylic acid (CID 16785327) is 1-quinolin-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-quinolin-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-quinolin-2-ylpiperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 1-quinolin-2-ylpiperidine-4-carboxylic acid?
The InChIKey is QBRQBFOWEPTQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)12-7-9-17(10-8-12)14-6-5-11-3-1-2-4-13(11)16-14/h1-6,12H,7-10H2,(H,18,19).
What are the key properties of 1-quinolin-2-ylpiperidine-4-carboxylic acid?
1-quinolin-2-ylpiperidine-4-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 16785327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).