2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine

C18H20ClFN2O2 — CID 171572934

IUPAC2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine
SMILESCc1ccc(OC2CCNCC2)nc1COc1ccc(Cl)cc1F
InChIInChI=1S/C18H20ClFN2O2/c1-12-2-5-18(24-14-6-8-21-9-7-14)22-16(12)11-23-17-4-3-13(19)10-15(17)20/h2-5,10,14,21H,6-9,11H2,1H3
InChIKeyRSTHIEWLOXFNBC-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.89
Rot. Bonds5

About 2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine

2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine (PubChem CID 171572934) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine
PubChem CID171572934
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine
SMILESCc1ccc(OC2CCNCC2)nc1COc1ccc(Cl)cc1F
InChIInChI=1S/C18H20ClFN2O2/c1-12-2-5-18(24-14-6-8-21-9-7-14)22-16(12)11-23-17-4-3-13(19)10-15(17)20/h2-5,10,14,21H,6-9,11H2,1H3
InChIKeyRSTHIEWLOXFNBC-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
2-[(4-chloro-2-fluorophenoxy)methyl]-6-(3-methylpiperidin-4-yl)oxypyridine
CID 170938654
2-[(4-chloro-2-fluorophenoxy)methyl]-N-piperidin-4-ylpyrimidin-4-amine
CID 164602374
[6-[(4-chloro-2-fluorophenoxy)methyl]-2-pyridinyl] piperidine-4-carboxylate
CID 167494457
4-(4-chloro-2-ethylphenoxy)piperidine
CID 22397478
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
tert-butyl 4-[[6-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 167388900
6-[(4-chloro-2-fluorophenyl)methyl]-3-fluoro-2-piperidin-4-yloxypyridine
CID 163253568
2,6-dimethyl-3-piperidin-4-yloxypyridine;hydrochloride
CID 154573872
5-chloro-4-methyl-2-piperidin-4-yloxypyridine;dihydrochloride
CID 69411333
2-[(4-chloro-2-fluorophenoxy)methyl]azetidine
CID 84681387
3-bromo-2-chloro-6-piperidin-4-yloxypyridine
CID 11277752

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine?
The IUPAC name of 2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine (CID 171572934) is 2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine?
The canonical SMILES for 2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine is Cc1ccc(OC2CCNCC2)nc1COc1ccc(Cl)cc1F.
What is the InChIKey of 2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine?
The InChIKey is RSTHIEWLOXFNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-12-2-5-18(24-14-6-8-21-9-7-14)22-16(12)11-23-17-4-3-13(19)10-15(17)20/h2-5,10,14,21H,6-9,11H2,1H3.
What are the key properties of 2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine?
2-[(4-chloro-2-fluorophenoxy)methyl]-3-methyl-6-piperidin-4-yloxypyridine has a molecular weight of 350.82 g/mol, XLogP of 3.89, 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]-3-methyl-6-piperidin-4-yloxypyridine is sourced from PubChem (CID 171572934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).