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

C17H20N2O2 — CID 63125876

IUPAC4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C17H20N2O2/c1-2-17(16(20)21)9-11-19(12-10-17)15-8-7-13-5-3-4-6-14(13)18-15/h3-8H,2,9-12H2,1H3,(H,20,21)
InChIKeyPVMNDBAJBYPXQO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.32
Rot. Bonds3

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

4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid (PubChem CID 63125876) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid
PubChem CID63125876
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C17H20N2O2/c1-2-17(16(20)21)9-11-19(12-10-17)15-8-7-13-5-3-4-6-14(13)18-15/h3-8H,2,9-12H2,1H3,(H,20,21)
InChIKeyPVMNDBAJBYPXQO-UHFFFAOYSA-N
XLogP3.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid (CID 63125876) is 4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid?
The InChIKey is PVMNDBAJBYPXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-17(16(20)21)9-11-19(12-10-17)15-8-7-13-5-3-4-6-14(13)18-15/h3-8H,2,9-12H2,1H3,(H,20,21).
What are the key properties of 4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid?
4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).