4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid

C16H18N2O3 — CID 56878185

IUPAC4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(O)(C(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-11-10-14(17-13-5-3-2-4-12(11)13)18-8-6-16(21,7-9-18)15(19)20/h2-5,10,21H,6-9H2,1H3,(H,19,20)
InChIKeyNLWVPTBQLQYQPP-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.96
Rot. Bonds2

About 4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid

4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid (PubChem CID 56878185) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid
PubChem CID56878185
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(O)(C(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-11-10-14(17-13-5-3-2-4-12(11)13)18-8-6-16(21,7-9-18)15(19)20/h2-5,10,21H,6-9H2,1H3,(H,19,20)
InChIKeyNLWVPTBQLQYQPP-UHFFFAOYSA-N
XLogP1.96
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid (CID 56878185) is 4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid is Cc1cc(N2CCC(O)(C(=O)O)CC2)nc2ccccc12.
What is the InChIKey of 4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is NLWVPTBQLQYQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-10-14(17-13-5-3-2-4-12(11)13)18-8-6-16(21,7-9-18)15(19)20/h2-5,10,21H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid?
4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56878185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).