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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Related Compounds

4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 114214388
5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114034557
[1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160431
6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380066
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628816
3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine
CID 63159235
2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid
CID 114034149
6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63158673
5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 98032415
[2-(4,4-dimethylazepan-1-yl)-5-fluoro-3-pyridinyl]methanamine
CID 114035391
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917
[1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol
CID 100693917

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).