4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine

C9H13Cl2N3 — CID 118294869

IUPAC4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine
SMILESCn1c(C2CCNCC2)nc(Cl)c1Cl
InChIInChI=1S/C9H13Cl2N3/c1-14-8(11)7(10)13-9(14)6-2-4-12-5-3-6/h6,12H,2-5H2,1H3
InChIKeyLQKFXCQNLJVKRP-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.19
Rot. Bonds1

About 4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine

4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine (PubChem CID 118294869) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine
PubChem CID118294869
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC Name4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine
SMILESCn1c(C2CCNCC2)nc(Cl)c1Cl
InChIInChI=1S/C9H13Cl2N3/c1-14-8(11)7(10)13-9(14)6-2-4-12-5-3-6/h6,12H,2-5H2,1H3
InChIKeyLQKFXCQNLJVKRP-UHFFFAOYSA-N
XLogP2.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine?
The IUPAC name of 4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine (CID 118294869) is 4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for 4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine?
The canonical SMILES for 4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine is Cn1c(C2CCNCC2)nc(Cl)c1Cl.
What is the InChIKey of 4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine?
The InChIKey is LQKFXCQNLJVKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3/c1-14-8(11)7(10)13-9(14)6-2-4-12-5-3-6/h6,12H,2-5H2,1H3.
What are the key properties of 4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine?
4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine has a molecular weight of 234.13 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 118294869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).