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

C16H23FN2O2 — CID 83110056

IUPAC1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)c2ccc(F)cn2)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-6-16(15(20)21)7-9-19(10-8-16)12(2)14-5-4-13(17)11-18-14/h4-5,11-12H,3,6-10H2,1-2H3,(H,20,21)
InChIKeyYMCKUITVUMTOPP-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.25
Rot. Bonds5

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

1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 83110056) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID83110056
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)c2ccc(F)cn2)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-6-16(15(20)21)7-9-19(10-8-16)12(2)14-5-4-13(17)11-18-14/h4-5,11-12H,3,6-10H2,1-2H3,(H,20,21)
InChIKeyYMCKUITVUMTOPP-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid (CID 83110056) is 1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)c2ccc(F)cn2)CC1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is YMCKUITVUMTOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-6-16(15(20)21)7-9-19(10-8-16)12(2)14-5-4-13(17)11-18-14/h4-5,11-12H,3,6-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid?
1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-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 1-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 83110056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).