3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine

C16H16BrFN2O — CID 67246112

IUPAC3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine
SMILESFc1ccc(OC2CCN(c3ncccc3Br)CC2)cc1
InChIInChI=1S/C16H16BrFN2O/c17-15-2-1-9-19-16(15)20-10-7-14(8-11-20)21-13-5-3-12(18)4-6-13/h1-6,9,14H,7-8,10-11H2
InChIKeyRKFFNGRWOLKXOW-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.03
Rot. Bonds3

About 3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine

3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine (PubChem CID 67246112) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine
PubChem CID67246112
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine
SMILESFc1ccc(OC2CCN(c3ncccc3Br)CC2)cc1
InChIInChI=1S/C16H16BrFN2O/c17-15-2-1-9-19-16(15)20-10-7-14(8-11-20)21-13-5-3-12(18)4-6-13/h1-6,9,14H,7-8,10-11H2
InChIKeyRKFFNGRWOLKXOW-UHFFFAOYSA-N
XLogP4.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine?
The IUPAC name of 3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine (CID 67246112) is 3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine is Fc1ccc(OC2CCN(c3ncccc3Br)CC2)cc1.
What is the InChIKey of 3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine?
The InChIKey is RKFFNGRWOLKXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c17-15-2-1-9-19-16(15)20-10-7-14(8-11-20)21-13-5-3-12(18)4-6-13/h1-6,9,14H,7-8,10-11H2.
What are the key properties of 3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine?
3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine has a molecular weight of 351.22 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 67246112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).