3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine

C17H19FN2O — CID 139475888

IUPAC3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine
SMILESCOc1ccc([C@H]2CCCN(c3ccncc3F)C2)cc1
InChIInChI=1S/C17H19FN2O/c1-21-15-6-4-13(5-7-15)14-3-2-10-20(12-14)17-8-9-19-11-16(17)18/h4-9,11,14H,2-3,10,12H2,1H3/t14-/m0/s1
InChIKeyDNWBECJAYVWUSW-AWEZNQCLSA-N
MW286.35 g/mol
LogP3.61
Rot. Bonds3

About 3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine

3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine (PubChem CID 139475888) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine
PubChem CID139475888
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine
SMILESCOc1ccc([C@H]2CCCN(c3ccncc3F)C2)cc1
InChIInChI=1S/C17H19FN2O/c1-21-15-6-4-13(5-7-15)14-3-2-10-20(12-14)17-8-9-19-11-16(17)18/h4-9,11,14H,2-3,10,12H2,1H3/t14-/m0/s1
InChIKeyDNWBECJAYVWUSW-AWEZNQCLSA-N
XLogP3.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine?
The IUPAC name of 3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine (CID 139475888) is 3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine?
The canonical SMILES for 3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine is COc1ccc([C@H]2CCCN(c3ccncc3F)C2)cc1.
What is the InChIKey of 3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine?
The InChIKey is DNWBECJAYVWUSW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-21-15-6-4-13(5-7-15)14-3-2-10-20(12-14)17-8-9-19-11-16(17)18/h4-9,11,14H,2-3,10,12H2,1H3/t14-/m0/s1.
What are the key properties of 3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine?
3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine has a molecular weight of 286.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 139475888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).