2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine

C11H17FN2 — CID 69107961

IUPAC2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine
SMILESFCC1CC(C2C=CC=CN2)CCN1
InChIInChI=1S/C11H17FN2/c12-8-10-7-9(4-6-13-10)11-3-1-2-5-14-11/h1-3,5,9-11,13-14H,4,6-8H2
InChIKeyPUFNVDWFQMLZJD-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.37
Rot. Bonds2

About 2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine

2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine (PubChem CID 69107961) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine.

Molecular Properties

Compound Name2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine
PubChem CID69107961
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine
SMILESFCC1CC(C2C=CC=CN2)CCN1
InChIInChI=1S/C11H17FN2/c12-8-10-7-9(4-6-13-10)11-3-1-2-5-14-11/h1-3,5,9-11,13-14H,4,6-8H2
InChIKeyPUFNVDWFQMLZJD-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 2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine?
The IUPAC name of 2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine (CID 69107961) is 2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine.
What is the SMILES notation for 2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine?
The canonical SMILES for 2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine is FCC1CC(C2C=CC=CN2)CCN1.
What is the InChIKey of 2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine?
The InChIKey is PUFNVDWFQMLZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c12-8-10-7-9(4-6-13-10)11-3-1-2-5-14-11/h1-3,5,9-11,13-14H,4,6-8H2.
What are the key properties of 2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine?
2-[2-(fluoromethyl)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 2-[2-(fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine is sourced from PubChem (CID 69107961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).