3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine

C20H25FN2O — CID 22678616

IUPAC3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ncccc1CN1CCC(CCc2cccc(F)c2)CC1
InChIInChI=1S/C20H25FN2O/c1-24-20-18(5-3-11-22-20)15-23-12-9-16(10-13-23)7-8-17-4-2-6-19(21)14-17/h2-6,11,14,16H,7-10,12-13,15H2,1H3
InChIKeyYUFZBQBPUMBFBY-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.07
Rot. Bonds6

About 3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine

3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine (PubChem CID 22678616) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine.

Molecular Properties

Compound Name3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine
PubChem CID22678616
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ncccc1CN1CCC(CCc2cccc(F)c2)CC1
InChIInChI=1S/C20H25FN2O/c1-24-20-18(5-3-11-22-20)15-23-12-9-16(10-13-23)7-8-17-4-2-6-19(21)14-17/h2-6,11,14,16H,7-10,12-13,15H2,1H3
InChIKeyYUFZBQBPUMBFBY-UHFFFAOYSA-N
XLogP4.07
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine?
The IUPAC name of 3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine (CID 22678616) is 3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine.
What is the SMILES notation for 3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine?
The canonical SMILES for 3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine is COc1ncccc1CN1CCC(CCc2cccc(F)c2)CC1.
What is the InChIKey of 3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine?
The InChIKey is YUFZBQBPUMBFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-24-20-18(5-3-11-22-20)15-23-12-9-16(10-13-23)7-8-17-4-2-6-19(21)14-17/h2-6,11,14,16H,7-10,12-13,15H2,1H3.
What are the key properties of 3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine?
3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine has a molecular weight of 328.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methoxypyridine is sourced from PubChem (CID 22678616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).