[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone

C18H19FN2O2 — CID 110411687

IUPAC[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(COc2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O2/c19-16-3-5-17(6-4-16)23-13-14-7-10-21(11-8-14)18(22)15-2-1-9-20-12-15/h1-6,9,12,14H,7-8,10-11,13H2
InChIKeyRDWIBVZPHZAYHW-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.15
Rot. Bonds4

About [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110411687) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110411687
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(COc2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O2/c19-16-3-5-17(6-4-16)23-13-14-7-10-21(11-8-14)18(22)15-2-1-9-20-12-15/h1-6,9,12,14H,7-8,10-11,13H2
InChIKeyRDWIBVZPHZAYHW-UHFFFAOYSA-N
XLogP3.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110411665
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393
3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924693
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110639052
2-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924769

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 110411687) is [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(COc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is RDWIBVZPHZAYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-3-5-17(6-4-16)23-13-14-7-10-21(11-8-14)18(22)15-2-1-9-20-12-15/h1-6,9,12,14H,7-8,10-11,13H2.
What are the key properties of [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 314.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110411687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).