4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride

C12H16ClFN2O — CID 138543462

IUPAC4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride
SMILESCOc1cc(F)c(C=C2CCNCC2)cn1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-16-12-7-11(13)10(8-15-12)6-9-2-4-14-5-3-9;/h6-8,14H,2-5H2,1H3;1H
InChIKeyYAMYHXSASMJTAB-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.42
Rot. Bonds2

About 4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride

4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride (PubChem CID 138543462) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride
PubChem CID138543462
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride
SMILESCOc1cc(F)c(C=C2CCNCC2)cn1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-16-12-7-11(13)10(8-15-12)6-9-2-4-14-5-3-9;/h6-8,14H,2-5H2,1H3;1H
InChIKeyYAMYHXSASMJTAB-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-6-methoxypyridine-3-carbaldehyde
CID 118434403
7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
CID 118998955
4-fluoro-6-methoxypyridine-3-thiol
CID 142555736
5-methyl-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;hydrochloride
CID 66876166
2,5-dimethoxy-4-piperidin-4-ylpyridine
CID 84687688
4-[(5-fluoro-2-methylphenyl)methylidene]piperidine
CID 105376226
(4Z)-4-[(2-fluoro-3-methoxyphenyl)methylidene]azepane
CID 104795655
5-ethynyl-4-fluoro-2-methoxypyridine
CID 74890866
methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate
CID 162354073
5-fluoro-2-methoxy-4-methylsulfanylpyridine
CID 147316298
tert-butyl 3-[[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methylidene]azetidine-1-carboxylate
CID 178111885
4-[(2-bromo-4-fluorophenyl)methylidene]piperidine
CID 79880609

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride?
The IUPAC name of 4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride (CID 138543462) is 4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride.
What is the SMILES notation for 4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride?
The canonical SMILES for 4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride is COc1cc(F)c(C=C2CCNCC2)cn1.Cl.
What is the InChIKey of 4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride?
The InChIKey is YAMYHXSASMJTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.ClH/c1-16-12-7-11(13)10(8-15-12)6-9-2-4-14-5-3-9;/h6-8,14H,2-5H2,1H3;1H.
What are the key properties of 4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride?
4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride has a molecular weight of 258.72 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-5-(piperidin-4-ylidenemethyl)pyridine;hydrochloride is sourced from PubChem (CID 138543462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).