4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine

C16H25ClN2 — CID 113380643

IUPAC4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine
SMILESCCCc1cc(CCl)cc(N2CCCCC2CC)n1
InChIInChI=1S/C16H25ClN2/c1-3-7-14-10-13(12-17)11-16(18-14)19-9-6-5-8-15(19)4-2/h10-11,15H,3-9,12H2,1-2H3
InChIKeyLXAPLVLGZLRAGU-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.54
Rot. Bonds5

About 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine

4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine (PubChem CID 113380643) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine
PubChem CID113380643
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine
SMILESCCCc1cc(CCl)cc(N2CCCCC2CC)n1
InChIInChI=1S/C16H25ClN2/c1-3-7-14-10-13(12-17)11-16(18-14)19-9-6-5-8-15(19)4-2/h10-11,15H,3-9,12H2,1-2H3
InChIKeyLXAPLVLGZLRAGU-UHFFFAOYSA-N
XLogP4.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.54
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

[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol
CID 116637089
1-[6-tert-butyl-4-(chloromethyl)-2-pyridinyl]-2-ethylazepane
CID 104691311
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 104693100
1-[5-(chloromethyl)pyrazin-2-yl]-2-ethylazepane
CID 107373567
2-[6-[(2R)-2-ethylpiperidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine
CID 95218180
4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine
CID 83062355
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637083
2-[2-(hydroxymethyl)azepan-1-yl]-6-propylpyridine-4-carboxylic acid
CID 116635077
[2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol
CID 104691301
1-[3-(chloromethyl)-5-fluorophenyl]-2-ethylazepane
CID 106530530
4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine
CID 113380789

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine?
The IUPAC name of 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine (CID 113380643) is 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine?
The canonical SMILES for 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine is CCCc1cc(CCl)cc(N2CCCCC2CC)n1.
What is the InChIKey of 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine?
The InChIKey is LXAPLVLGZLRAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-7-14-10-13(12-17)11-16(18-14)19-9-6-5-8-15(19)4-2/h10-11,15H,3-9,12H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine?
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine has a molecular weight of 280.84 g/mol, XLogP of 4.54, 5 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)-6-propylpyridine is sourced from PubChem (CID 113380643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).