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

C15H17ClN2O2 — CID 56828036

IUPAC1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C15H16N2O2.ClH/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);1H
InChIKeyWLILONAAXCPYRK-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.96
Rot. Bonds2

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

1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 56828036) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID56828036
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C15H16N2O2.ClH/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);1H
InChIKeyWLILONAAXCPYRK-UHFFFAOYSA-N
XLogP2.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride (CID 56828036) is 1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is WLILONAAXCPYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/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);1H.
What are the key properties of 1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride?
1-quinolin-2-ylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 2.96, 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;hydrochloride is sourced from PubChem (CID 56828036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).