2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine

C18H20ClFN2O2 — CID 170938654

IUPAC2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine
SMILESCC1CNCCC1Oc1cccc(COc2ccc(Cl)cc2F)n1
InChIInChI=1S/C18H20ClFN2O2/c1-12-10-21-8-7-16(12)24-18-4-2-3-14(22-18)11-23-17-6-5-13(19)9-15(17)20/h2-6,9,12,16,21H,7-8,10-11H2,1H3
InChIKeyKWWTXENCJWBTRI-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.83
Rot. Bonds5

About 2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine

2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine (PubChem CID 170938654) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine
PubChem CID170938654
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine
SMILESCC1CNCCC1Oc1cccc(COc2ccc(Cl)cc2F)n1
InChIInChI=1S/C18H20ClFN2O2/c1-12-10-21-8-7-16(12)24-18-4-2-3-14(22-18)11-23-17-6-5-13(19)9-15(17)20/h2-6,9,12,16,21H,7-8,10-11H2,1H3
InChIKeyKWWTXENCJWBTRI-UHFFFAOYSA-N
XLogP3.83
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate
CID 167494457
2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine
CID 171572934
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine
CID 79243153
6-bromo-2-[4-[[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-fluoro-1-(oxetan-2-ylmethyl)benzimidazole
CID 174213112
6-bromo-2-[4-[[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-fluoro-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole
CID 174213113
2-[(4-chloro-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyrimidin-4-amine
CID 164602374
1-[5-chloro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992738
(E)-3-[2-[[4-[[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl]oxy]piperidin-1-yl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]prop-2-enoic acid
CID 170938437
2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine
CID 167417070
3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide
CID 82913722
methyl 2-[[4-[[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl]oxy]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate
CID 175522717

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine?
The IUPAC name of 2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine (CID 170938654) is 2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine?
The canonical SMILES for 2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine is CC1CNCCC1Oc1cccc(COc2ccc(Cl)cc2F)n1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine?
The InChIKey is KWWTXENCJWBTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-12-10-21-8-7-16(12)24-18-4-2-3-14(22-18)11-23-17-6-5-13(19)9-15(17)20/h2-6,9,12,16,21H,7-8,10-11H2,1H3.
What are the key properties of 2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine?
2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine has a molecular weight of 350.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine is sourced from PubChem (CID 170938654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).