5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine

C11H17FN2 — CID 69107959

IUPAC5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
SMILESFCC1=C(C2CCNCC2)NCC=C1
InChIInChI=1S/C11H17FN2/c12-8-10-2-1-5-14-11(10)9-3-6-13-7-4-9/h1-2,9,13-14H,3-8H2
InChIKeyFECBZWPLVQXZAZ-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.37
Rot. Bonds2

About 5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine

5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine (PubChem CID 69107959) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
PubChem CID69107959
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
SMILESFCC1=C(C2CCNCC2)NCC=C1
InChIInChI=1S/C11H17FN2/c12-8-10-2-1-5-14-11(10)9-3-6-13-7-4-9/h1-2,9,13-14H,3-8H2
InChIKeyFECBZWPLVQXZAZ-UHFFFAOYSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine?
The IUPAC name of 5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine (CID 69107959) is 5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine.
What is the SMILES notation for 5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine?
The canonical SMILES for 5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine is FCC1=C(C2CCNCC2)NCC=C1.
What is the InChIKey of 5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine?
The InChIKey is FECBZWPLVQXZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c12-8-10-2-1-5-14-11(10)9-3-6-13-7-4-9/h1-2,9,13-14H,3-8H2.
What are the key properties of 5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine?
5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine has a molecular weight of 196.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine is sourced from PubChem (CID 69107959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).