5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine

C20H22ClFN2O — CID 22678503

IUPAC5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ncc(Cl)cc1CN1CCC(/C=C/c2ccccc2F)CC1
InChIInChI=1S/C20H22ClFN2O/c1-25-20-17(12-18(21)13-23-20)14-24-10-8-15(9-11-24)6-7-16-4-2-3-5-19(16)22/h2-7,12-13,15H,8-11,14H2,1H3/b7-6+
InChIKeyULFSCEQHLJCUMY-VOTSOKGWSA-N
MW360.86 g/mol
LogP4.81
Rot. Bonds5

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

5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine (PubChem CID 22678503) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine
PubChem CID22678503
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ncc(Cl)cc1CN1CCC(/C=C/c2ccccc2F)CC1
InChIInChI=1S/C20H22ClFN2O/c1-25-20-17(12-18(21)13-23-20)14-24-10-8-15(9-11-24)6-7-16-4-2-3-5-19(16)22/h2-7,12-13,15H,8-11,14H2,1H3/b7-6+
InChIKeyULFSCEQHLJCUMY-VOTSOKGWSA-N
XLogP4.81
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine?
The IUPAC name of 5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine (CID 22678503) is 5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine.
What is the SMILES notation for 5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine?
The canonical SMILES for 5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine is COc1ncc(Cl)cc1CN1CCC(/C=C/c2ccccc2F)CC1.
What is the InChIKey of 5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine?
The InChIKey is ULFSCEQHLJCUMY-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-25-20-17(12-18(21)13-23-20)14-24-10-8-15(9-11-24)6-7-16-4-2-3-5-19(16)22/h2-7,12-13,15H,8-11,14H2,1H3/b7-6+.
What are the key properties of 5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine?
5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine has a molecular weight of 360.86 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-2-methoxypyridine is sourced from PubChem (CID 22678503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).