4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine

C13H19ClN2O — CID 61257242

IUPAC4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
SMILESCCOC1CCN(c2cc(CCl)ccn2)CC1
InChIInChI=1S/C13H19ClN2O/c1-2-17-12-4-7-16(8-5-12)13-9-11(10-14)3-6-15-13/h3,6,9,12H,2,4-5,7-8,10H2,1H3
InChIKeyHYTSWOPHGQDCQF-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.83
Rot. Bonds4

About 4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine

4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine (PubChem CID 61257242) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
PubChem CID61257242
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
SMILESCCOC1CCN(c2cc(CCl)ccn2)CC1
InChIInChI=1S/C13H19ClN2O/c1-2-17-12-4-7-16(8-5-12)13-9-11(10-14)3-6-15-13/h3,6,9,12H,2,4-5,7-8,10H2,1H3
InChIKeyHYTSWOPHGQDCQF-UHFFFAOYSA-N
XLogP2.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine
CID 62091611
2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701061
1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine
CID 61445466
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)-3-fluoropyridine
CID 105383508
4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965947
4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
CID 80798046
2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
CID 133298308
2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 55069209
2-[4-(2-bromoethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701052
4-[4-(2-chloroethoxy)piperidin-1-yl]-6-ethoxypyrimidine
CID 82702047
4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111960138
(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 104959964

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine?
The IUPAC name of 4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine (CID 61257242) is 4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine is CCOC1CCN(c2cc(CCl)ccn2)CC1.
What is the InChIKey of 4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine?
The InChIKey is HYTSWOPHGQDCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-17-12-4-7-16(8-5-12)13-9-11(10-14)3-6-15-13/h3,6,9,12H,2,4-5,7-8,10H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine?
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine has a molecular weight of 254.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine is sourced from PubChem (CID 61257242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).