5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine

C16H24FN3 — CID 83124822

IUPAC5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine
SMILESCC(c1ccc(F)cn1)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H24FN3/c1-12(14-8-7-13(17)11-19-14)20-10-3-2-6-16(20)15-5-4-9-18-15/h7-8,11-12,15-16,18H,2-6,9-10H2,1H3
InChIKeyMTGZVYWJTNLRCK-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.89
Rot. Bonds3

About 5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine

5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine (PubChem CID 83124822) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine
PubChem CID83124822
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine
SMILESCC(c1ccc(F)cn1)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H24FN3/c1-12(14-8-7-13(17)11-19-14)20-10-3-2-6-16(20)15-5-4-9-18-15/h7-8,11-12,15-16,18H,2-6,9-10H2,1H3
InChIKeyMTGZVYWJTNLRCK-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine?
The IUPAC name of 5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine (CID 83124822) is 5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine.
What is the SMILES notation for 5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine?
The canonical SMILES for 5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine is CC(c1ccc(F)cn1)N1CCCCC1C1CCCN1.
What is the InChIKey of 5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine?
The InChIKey is MTGZVYWJTNLRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-12(14-8-7-13(17)11-19-14)20-10-3-2-6-16(20)15-5-4-9-18-15/h7-8,11-12,15-16,18H,2-6,9-10H2,1H3.
What are the key properties of 5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine?
5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine has a molecular weight of 277.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine is sourced from PubChem (CID 83124822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).