4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine

C13H17ClN4 — CID 103386393

IUPAC4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine
SMILESCn1cnc2c(N3CCC(CCl)CC3)nccc21
InChIInChI=1S/C13H17ClN4/c1-17-9-16-12-11(17)2-5-15-13(12)18-6-3-10(8-14)4-7-18/h2,5,9-10H,3-4,6-8H2,1H3
InChIKeyIBXYUDBCODSMEW-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.42
Rot. Bonds2

About 4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine

4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine (PubChem CID 103386393) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine
PubChem CID103386393
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine
SMILESCn1cnc2c(N3CCC(CCl)CC3)nccc21
InChIInChI=1S/C13H17ClN4/c1-17-9-16-12-11(17)2-5-15-13(12)18-6-3-10(8-14)4-7-18/h2,5,9-10H,3-4,6-8H2,1H3
InChIKeyIBXYUDBCODSMEW-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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-[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-4-yl]acetic acid
CID 103385128
N-[[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 103386060
1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde
CID 103386359
1-methyl-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine;hydrochloride
CID 6602907
2-[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]ethanol
CID 103386158
3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid
CID 103385024
N-[[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 103386341
1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid
CID 103385086
4-[2-(bromomethyl)azepan-1-yl]-1-methylimidazo[4,5-c]pyridine
CID 103386490
1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol
CID 103386168
4-[2-(2-bromopropyl)pyrrolidin-1-yl]-1-methylimidazo[4,5-c]pyridine
CID 112748165
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine?
The IUPAC name of 4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine (CID 103386393) is 4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine is Cn1cnc2c(N3CCC(CCl)CC3)nccc21.
What is the InChIKey of 4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine?
The InChIKey is IBXYUDBCODSMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-17-9-16-12-11(17)2-5-15-13(12)18-6-3-10(8-14)4-7-18/h2,5,9-10H,3-4,6-8H2,1H3.
What are the key properties of 4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine?
4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine has a molecular weight of 264.76 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 103386393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).