2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid

C14H19FN2O2 — CID 114034455

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid
SMILESCCC1(C)CCN(c2ncc(F)cc2C(=O)O)CC1
InChIInChI=1S/C14H19FN2O2/c1-3-14(2)4-6-17(7-5-14)12-11(13(18)19)8-10(15)9-16-12/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyKVBHAPQMZRLMLE-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.94
Rot. Bonds3

About 2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid

2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid (PubChem CID 114034455) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid
PubChem CID114034455
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid
SMILESCCC1(C)CCN(c2ncc(F)cc2C(=O)O)CC1
InChIInChI=1S/C14H19FN2O2/c1-3-14(2)4-6-17(7-5-14)12-11(13(18)19)8-10(15)9-16-12/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyKVBHAPQMZRLMLE-UHFFFAOYSA-N
XLogP2.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid (CID 114034455) is 2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid is CCC1(C)CCN(c2ncc(F)cc2C(=O)O)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid?
The InChIKey is KVBHAPQMZRLMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-14(2)4-6-17(7-5-14)12-11(13(18)19)8-10(15)9-16-12/h8-9H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid?
2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 114034455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).