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

C17H18ClFN2O2 — CID 167494407

IUPAC2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine
SMILESFc1cc(Cl)ccc1OCc1cccc(OC2CCNCC2)n1
InChIInChI=1S/C17H18ClFN2O2/c18-12-4-5-16(15(19)10-12)22-11-13-2-1-3-17(21-13)23-14-6-8-20-9-7-14/h1-5,10,14,20H,6-9,11H2
InChIKeyBGBAFYYSXBNSOR-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.58
Rot. Bonds5

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

2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine (PubChem CID 167494407) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine
PubChem CID167494407
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine
SMILESFc1cc(Cl)ccc1OCc1cccc(OC2CCNCC2)n1
InChIInChI=1S/C17H18ClFN2O2/c18-12-4-5-16(15(19)10-12)22-11-13-2-1-3-17(21-13)23-14-6-8-20-9-7-14/h1-5,10,14,20H,6-9,11H2
InChIKeyBGBAFYYSXBNSOR-UHFFFAOYSA-N
XLogP3.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine?
The IUPAC name of 2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine (CID 167494407) is 2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine?
The canonical SMILES for 2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine is Fc1cc(Cl)ccc1OCc1cccc(OC2CCNCC2)n1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine?
The InChIKey is BGBAFYYSXBNSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c18-12-4-5-16(15(19)10-12)22-11-13-2-1-3-17(21-13)23-14-6-8-20-9-7-14/h1-5,10,14,20H,6-9,11H2.
What are the key properties of 2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine?
2-[(4-chloro-2-fluorophenoxy)methyl]-6-piperidin-4-yloxypyridine has a molecular weight of 336.79 g/mol, XLogP of 3.58, 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-piperidin-4-yloxypyridine is sourced from PubChem (CID 167494407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).