3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine

C16H18FN3O — CID 72920740

IUPAC3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
SMILESFc1cnccc1N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C16H18FN3O/c17-15-10-18-8-6-16(15)20-9-3-5-14(11-20)21-12-13-4-1-2-7-19-13/h1-2,4,6-8,10,14H,3,5,9,11-12H2
InChIKeyQATFUBWPWKGGNY-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.80
Rot. Bonds4

About 3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine

3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine (PubChem CID 72920740) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
PubChem CID72920740
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
SMILESFc1cnccc1N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C16H18FN3O/c17-15-10-18-8-6-16(15)20-9-3-5-14(11-20)21-12-13-4-1-2-7-19-13/h1-2,4,6-8,10,14H,3,5,9,11-12H2
InChIKeyQATFUBWPWKGGNY-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

5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 134704475
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146039643
4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 97456778
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
6-morpholin-4-yl-5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 45247569
2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95729769
3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 72908403
2-[[(3R)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-3-yl]oxymethyl]pyridine
CID 97018220
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 162633123
7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline
CID 166187818

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine?
The IUPAC name of 3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine (CID 72920740) is 3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine is Fc1cnccc1N1CCCC(OCc2ccccn2)C1.
What is the InChIKey of 3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine?
The InChIKey is QATFUBWPWKGGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-15-10-18-8-6-16(15)20-9-3-5-14(11-20)21-12-13-4-1-2-7-19-13/h1-2,4,6-8,10,14H,3,5,9,11-12H2.
What are the key properties of 3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine?
3-fluoro-4-[3-(pyridin-2-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-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 72920740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).