2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine

C13H17ClN4 — CID 83018634

IUPAC2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1N1CCCCC1
InChIInChI=1S/C13H17ClN4/c1-10(14)13-16-11-9-15-6-5-12(11)18(13)17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyVCMUALBPLUYVCQ-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.85
Rot. Bonds2

About 2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine

2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine (PubChem CID 83018634) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine
PubChem CID83018634
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1N1CCCCC1
InChIInChI=1S/C13H17ClN4/c1-10(14)13-16-11-9-15-6-5-12(11)18(13)17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyVCMUALBPLUYVCQ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine (CID 83018634) is 2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine is CC(Cl)c1nc2cnccc2n1N1CCCCC1.
What is the InChIKey of 2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is VCMUALBPLUYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-10(14)13-16-11-9-15-6-5-12(11)18(13)17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 264.76 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-piperidin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 83018634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).