3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine

C16H18FN3O — CID 72908403

IUPAC3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
SMILESFc1cnccc1N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C16H18FN3O/c17-15-11-19-7-3-16(15)20-8-4-14(5-9-20)21-12-13-2-1-6-18-10-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2
InChIKeyJXISURDORCBUFP-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.80
Rot. Bonds4

About 3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine

3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine (PubChem CID 72908403) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
PubChem CID72908403
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
SMILESFc1cnccc1N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C16H18FN3O/c17-15-11-19-7-3-16(15)20-8-4-14(5-9-20)21-12-13-2-1-6-18-10-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2
InChIKeyJXISURDORCBUFP-UHFFFAOYSA-N
XLogP2.80
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375
6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 56896281
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131927908
(2,3-difluoro-6-methoxyphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70748748
3-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)pyridine
CID 72854783
3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 56886815
3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
CID 72920740
3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
CID 171909488
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
CID 50960500
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
[(3aS,4R,5R,6S,7S,7aR)-6,7-dihydroxy-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 162628082

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine?
The IUPAC name of 3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine (CID 72908403) is 3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine is Fc1cnccc1N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of 3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine?
The InChIKey is JXISURDORCBUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-15-11-19-7-3-16(15)20-8-4-14(5-9-20)21-12-13-2-1-6-18-10-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2.
What are the key properties of 3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine?
3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine has a molecular weight of 287.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 72908403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).