4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine

C13H18ClFN2 — CID 105383470

IUPAC4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine
SMILESCCC1CCCCN1c1nccc(CCl)c1F
InChIInChI=1S/C13H18ClFN2/c1-2-11-5-3-4-8-17(11)13-12(15)10(9-14)6-7-16-13/h6-7,11H,2-5,8-9H2,1H3
InChIKeyMIFXMDYNQHZTAE-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.73
Rot. Bonds3

About 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine

4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine (PubChem CID 105383470) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine
PubChem CID105383470
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine
SMILESCCC1CCCCN1c1nccc(CCl)c1F
InChIInChI=1S/C13H18ClFN2/c1-2-11-5-3-4-8-17(11)13-12(15)10(9-14)6-7-16-13/h6-7,11H,2-5,8-9H2,1H3
InChIKeyMIFXMDYNQHZTAE-UHFFFAOYSA-N
XLogP3.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388708
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388710
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)-3-fluoropyridine
CID 105383508
4-(chloromethyl)-2-(3,4-dimethylpyrrolidin-1-yl)-3-fluoropyridine
CID 105383656
3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 106876417
1-[5-(chloromethyl)pyrazin-2-yl]-2-ethylazepane
CID 107373567
[2-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 61254159
N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 104692153
5-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 105383564
4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine
CID 80773841
[2-(2-cyclopentylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105383020
1-[3-(chloromethyl)-5-fluorophenyl]-2-ethylazepane
CID 106530530

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine?
The IUPAC name of 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine (CID 105383470) is 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine?
The canonical SMILES for 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine is CCC1CCCCN1c1nccc(CCl)c1F.
What is the InChIKey of 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine?
The InChIKey is MIFXMDYNQHZTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-2-11-5-3-4-8-17(11)13-12(15)10(9-14)6-7-16-13/h6-7,11H,2-5,8-9H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine?
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine has a molecular weight of 256.75 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine is sourced from PubChem (CID 105383470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).