5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine

C19H22ClFN2O2 — CID 22678527

IUPAC5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ncc(Cl)cc1CN1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C19H22ClFN2O2/c1-24-19-15(10-16(20)11-22-19)12-23-8-6-14(7-9-23)13-25-18-5-3-2-4-17(18)21/h2-5,10-11,14H,6-9,12-13H2,1H3
InChIKeyLVHNPMSPUSETMW-UHFFFAOYSA-N
MW364.85 g/mol
LogP4.17
Rot. Bonds6

About 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine

5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine (PubChem CID 22678527) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine
PubChem CID22678527
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ncc(Cl)cc1CN1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C19H22ClFN2O2/c1-24-19-15(10-16(20)11-22-19)12-23-8-6-14(7-9-23)13-25-18-5-3-2-4-17(18)21/h2-5,10-11,14H,6-9,12-13H2,1H3
InChIKeyLVHNPMSPUSETMW-UHFFFAOYSA-N
XLogP4.17
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine?
The IUPAC name of 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine (CID 22678527) is 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine.
What is the SMILES notation for 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine?
The canonical SMILES for 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine is COc1ncc(Cl)cc1CN1CCC(COc2ccccc2F)CC1.
What is the InChIKey of 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine?
The InChIKey is LVHNPMSPUSETMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-24-19-15(10-16(20)11-22-19)12-23-8-6-14(7-9-23)13-25-18-5-3-2-4-17(18)21/h2-5,10-11,14H,6-9,12-13H2,1H3.
What are the key properties of 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine?
5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine has a molecular weight of 364.85 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyridine is sourced from PubChem (CID 22678527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).