1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone

C13H16ClFN2O2 — CID 137364358

IUPAC1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(COc2cnc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFN2O2/c1-9(18)17-4-2-10(3-5-17)8-19-11-6-12(15)13(14)16-7-11/h6-7,10H,2-5,8H2,1H3
InChIKeyNXNQGLLDZDWDMZ-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.51
Rot. Bonds3

About 1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone

1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone (PubChem CID 137364358) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
PubChem CID137364358
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(COc2cnc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFN2O2/c1-9(18)17-4-2-10(3-5-17)8-19-11-6-12(15)13(14)16-7-11/h6-7,10H,2-5,8H2,1H3
InChIKeyNXNQGLLDZDWDMZ-UHFFFAOYSA-N
XLogP2.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 137364287
2-[5-(cyclopropylmethoxy)-3-fluoro-2-pyridinyl]propanamide
CID 175704491
1-[4-[(6-chloro-2-methyl-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155790751
[5-(cyclopropylmethoxy)-3-fluoro-2-pyridinyl]methanol
CID 58047152
tert-butyl 4-[(4-amino-3-fluorophenoxy)methyl]piperidine-1-carboxylate
CID 164576765
[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 46978998
(2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one
CID 119333509
7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-2-[(1-methylpiperidin-4-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 170749178
propan-2-yl 4-[[6-(2-fluoro-4-methylsulfinylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 59177814
methyl 2-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167869642
1-[4-[(2-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662189
2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119333514

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone (CID 137364358) is 1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(COc2cnc(Cl)c(F)c2)CC1.
What is the InChIKey of 1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone?
The InChIKey is NXNQGLLDZDWDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-9(18)17-4-2-10(3-5-17)8-19-11-6-12(15)13(14)16-7-11/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone?
1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone has a molecular weight of 286.73 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 137364358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).