4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid

C16H23FN2O2 — CID 115941705

IUPAC4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-14(13-6-5-12(17)11-18-13)19-9-7-16(4-2,8-10-19)15(20)21/h5-6,11,14H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyZOUWGSONHYVRLZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.25
Rot. Bonds5

About 4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid

4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid (PubChem CID 115941705) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid
PubChem CID115941705
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-14(13-6-5-12(17)11-18-13)19-9-7-16(4-2,8-10-19)15(20)21/h5-6,11,14H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyZOUWGSONHYVRLZ-UHFFFAOYSA-N
XLogP3.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propylpyrrolidine-3-carboxylic acid
CID 115941701
3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 107321041
1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984629
1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 112586688
1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 83129243
1-[1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-yl]-N-methylmethanamine
CID 112585626
3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064332
1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine
CID 112585618
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 4223664
4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 63125610
1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide
CID 115940603
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659957

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid (CID 115941705) is 4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid is CCC(c1ccc(F)cn1)N1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid?
The InChIKey is ZOUWGSONHYVRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-14(13-6-5-12(17)11-18-13)19-9-7-16(4-2,8-10-19)15(20)21/h5-6,11,14H,3-4,7-10H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid?
4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 115941705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).