2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine

C15H21ClN4 — CID 79292874

IUPAC2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine
SMILESCCN1CCCC(n2c(CCCl)nc3cnccc32)C1
InChIInChI=1S/C15H21ClN4/c1-2-19-9-3-4-12(11-19)20-14-6-8-17-10-13(14)18-15(20)5-7-16/h6,8,10,12H,2-5,7,9,11H2,1H3
InChIKeyISBADSHSENDALI-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.87
Rot. Bonds4

About 2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine

2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine (PubChem CID 79292874) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine
PubChem CID79292874
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine
SMILESCCN1CCCC(n2c(CCCl)nc3cnccc32)C1
InChIInChI=1S/C15H21ClN4/c1-2-19-9-3-4-12(11-19)20-14-6-8-17-10-13(14)18-15(20)5-7-16/h6,8,10,12H,2-5,7,9,11H2,1H3
InChIKeyISBADSHSENDALI-UHFFFAOYSA-N
XLogP2.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
CID 79292911
2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)-7-methylbenzimidazole
CID 115553168
2-(2-chloroethyl)-1-(3,4-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79292202
2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79871479
2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136165
2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine
CID 79292719
4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-2-methylbutan-1-amine
CID 82683383
2-(chloromethyl)-1-(1-ethylpiperidin-3-yl)-6,7-difluorobenzimidazole
CID 62533906
6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79302252
1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
CID 61480058
2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine (CID 79292874) is 2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine is CCN1CCCC(n2c(CCCl)nc3cnccc32)C1.
What is the InChIKey of 2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine?
The InChIKey is ISBADSHSENDALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-2-19-9-3-4-12(11-19)20-14-6-8-17-10-13(14)18-15(20)5-7-16/h6,8,10,12H,2-5,7,9,11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine has a molecular weight of 292.81 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).