2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid

C17H20N2O3 — CID 58948368

IUPAC2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid
SMILESCc1cc(OC2CCN(CC(=O)O)CC2)c2ccccc2n1
InChIInChI=1S/C17H20N2O3/c1-12-10-16(14-4-2-3-5-15(14)18-12)22-13-6-8-19(9-7-13)11-17(20)21/h2-5,10,13H,6-9,11H2,1H3,(H,20,21)
InChIKeyRNVJFAADCBWYCA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.47
Rot. Bonds4

About 2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid

2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid (PubChem CID 58948368) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid
PubChem CID58948368
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid
SMILESCc1cc(OC2CCN(CC(=O)O)CC2)c2ccccc2n1
InChIInChI=1S/C17H20N2O3/c1-12-10-16(14-4-2-3-5-15(14)18-12)22-13-6-8-19(9-7-13)11-17(20)21/h2-5,10,13H,6-9,11H2,1H3,(H,20,21)
InChIKeyRNVJFAADCBWYCA-UHFFFAOYSA-N
XLogP2.47
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid (CID 58948368) is 2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid is Cc1cc(OC2CCN(CC(=O)O)CC2)c2ccccc2n1.
What is the InChIKey of 2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid?
The InChIKey is RNVJFAADCBWYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-10-16(14-4-2-3-5-15(14)18-12)22-13-6-8-19(9-7-13)11-17(20)21/h2-5,10,13H,6-9,11H2,1H3,(H,20,21).
What are the key properties of 2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid?
2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid is sourced from PubChem (CID 58948368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).