4-(5-methylimidazol-1-yl)piperidine;dihydrochloride

C9H17Cl2N3 — CID 75481329

IUPAC4-(5-methylimidazol-1-yl)piperidine;dihydrochloride
SMILESCc1cncn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-8-6-11-7-12(8)9-2-4-10-5-3-9;;/h6-7,9-10H,2-5H2,1H3;2*1H
InChIKeyHXSUJXWAAMMNLL-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.96
Rot. Bonds1

About 4-(5-methylimidazol-1-yl)piperidine;dihydrochloride

4-(5-methylimidazol-1-yl)piperidine;dihydrochloride (PubChem CID 75481329) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 4-(5-methylimidazol-1-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(5-methylimidazol-1-yl)piperidine;dihydrochloride
PubChem CID75481329
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name4-(5-methylimidazol-1-yl)piperidine;dihydrochloride
SMILESCc1cncn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-8-6-11-7-12(8)9-2-4-10-5-3-9;;/h6-7,9-10H,2-5H2,1H3;2*1H
InChIKeyHXSUJXWAAMMNLL-UHFFFAOYSA-N
XLogP1.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylimidazol-1-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(5-methylimidazol-1-yl)piperidine;dihydrochloride (CID 75481329) is 4-(5-methylimidazol-1-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(5-methylimidazol-1-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(5-methylimidazol-1-yl)piperidine;dihydrochloride is Cc1cncn1C1CCNCC1.Cl.Cl.
What is the InChIKey of 4-(5-methylimidazol-1-yl)piperidine;dihydrochloride?
The InChIKey is HXSUJXWAAMMNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-8-6-11-7-12(8)9-2-4-10-5-3-9;;/h6-7,9-10H,2-5H2,1H3;2*1H.
What are the key properties of 4-(5-methylimidazol-1-yl)piperidine;dihydrochloride?
4-(5-methylimidazol-1-yl)piperidine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylimidazol-1-yl)piperidine;dihydrochloride is sourced from PubChem (CID 75481329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).