3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine

C15H23FN2O2 — CID 178103305

IUPAC3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine
SMILESCOC(c1cncc(F)c1OC(C)C)C1CCCCN1
InChIInChI=1S/C15H23FN2O2/c1-10(2)20-14-11(8-17-9-12(14)16)15(19-3)13-6-4-5-7-18-13/h8-10,13,15,18H,4-7H2,1-3H3
InChIKeyHEPGKCSJNVTWGT-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.84
Rot. Bonds5

About 3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine

3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine (PubChem CID 178103305) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine
PubChem CID178103305
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine
SMILESCOC(c1cncc(F)c1OC(C)C)C1CCCCN1
InChIInChI=1S/C15H23FN2O2/c1-10(2)20-14-11(8-17-9-12(14)16)15(19-3)13-6-4-5-7-18-13/h8-10,13,15,18H,4-7H2,1-3H3
InChIKeyHEPGKCSJNVTWGT-UHFFFAOYSA-N
XLogP2.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-4-propan-2-yloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanol;hydrochloride
CID 178103159
piperidin-2-yl-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 106634630
2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline
CID 121481969
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
3-[fluoro(piperidin-2-yl)methyl]-5-methoxypyridine
CID 106634961
2-[1-(3,4-difluorophenoxy)ethyl]piperidine
CID 117051161
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112586842
2-(3-fluoro-4-propan-2-yloxyphenyl)piperidine
CID 82291972
1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one
CID 112583451
2-[cyclohexyl(methoxy)methyl]piperidine;ethane;2-[methoxy(phenyl)methyl]piperidine;2-[methoxy(piperidin-2-yl)methyl]pyridine
CID 144884076
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine?
The IUPAC name of 3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine (CID 178103305) is 3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine.
What is the SMILES notation for 3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine?
The canonical SMILES for 3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine is COC(c1cncc(F)c1OC(C)C)C1CCCCN1.
What is the InChIKey of 3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine?
The InChIKey is HEPGKCSJNVTWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)20-14-11(8-17-9-12(14)16)15(19-3)13-6-4-5-7-18-13/h8-10,13,15,18H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine?
3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine has a molecular weight of 282.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[methoxy(piperidin-2-yl)methyl]-4-propan-2-yloxypyridine is sourced from PubChem (CID 178103305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).