2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine

C13H17ClN4 — CID 79292719

IUPAC2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine
SMILESCN1CCC(n2c(CCl)nc3cnccc32)CC1
InChIInChI=1S/C13H17ClN4/c1-17-6-3-10(4-7-17)18-12-2-5-15-9-11(12)16-13(18)8-14/h2,5,9-10H,3-4,6-8H2,1H3
InChIKeyNOLSEGJFUCNLBP-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.44
Rot. Bonds2

About 2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine

2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine (PubChem CID 79292719) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine
PubChem CID79292719
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine
SMILESCN1CCC(n2c(CCl)nc3cnccc32)CC1
InChIInChI=1S/C13H17ClN4/c1-17-6-3-10(4-7-17)18-12-2-5-15-9-11(12)16-13(18)8-14/h2,5,9-10H,3-4,6-8H2,1H3
InChIKeyNOLSEGJFUCNLBP-UHFFFAOYSA-N
XLogP2.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.44
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-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine
CID 83018792
2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
CID 79292911
1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 79291935
2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine
CID 83029337
3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidine-2,6-dione
CID 79289296
2-(chloromethyl)-5-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 54949887
2-(2-chloroethyl)-1-(3,4-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79292202
2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)imidazo[4,5-c]pyridine
CID 79292874
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 60788770
4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-2-methylbutan-1-amine
CID 82683383
2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
CID 79292816

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine (CID 79292719) is 2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine is CN1CCC(n2c(CCl)nc3cnccc32)CC1.
What is the InChIKey of 2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine?
The InChIKey is NOLSEGJFUCNLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-17-6-3-10(4-7-17)18-12-2-5-15-9-11(12)16-13(18)8-14/h2,5,9-10H,3-4,6-8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine has a molecular weight of 264.76 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).