4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride

C10H19Cl2N3 — CID 86812362

IUPAC4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride
SMILESCc1nc(C2CCNCC2)[nH]c1C.Cl.Cl
InChIInChI=1S/C10H17N3.2ClH/c1-7-8(2)13-10(12-7)9-3-5-11-6-4-9;;/h9,11H,3-6H2,1-2H3,(H,12,13);2*1H
InChIKeyBXBQCMJCGPCALV-UHFFFAOYSA-N
MW252.19 g/mol
LogP2.34
Rot. Bonds1

About 4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride

4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride (PubChem CID 86812362) has the molecular formula C10H19Cl2N3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride
PubChem CID86812362
Molecular FormulaC10H19Cl2N3
Molecular Weight252.19 g/mol
Exact Mass251.10
IUPAC Name4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride
SMILESCc1nc(C2CCNCC2)[nH]c1C.Cl.Cl
InChIInChI=1S/C10H17N3.2ClH/c1-7-8(2)13-10(12-7)9-3-5-11-6-4-9;;/h9,11H,3-6H2,1-2H3,(H,12,13);2*1H
InChIKeyBXBQCMJCGPCALV-UHFFFAOYSA-N
XLogP2.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride (CID 86812362) is 4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride is Cc1nc(C2CCNCC2)[nH]c1C.Cl.Cl.
What is the InChIKey of 4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride?
The InChIKey is BXBQCMJCGPCALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.2ClH/c1-7-8(2)13-10(12-7)9-3-5-11-6-4-9;;/h9,11H,3-6H2,1-2H3,(H,12,13);2*1H.
What are the key properties of 4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride?
4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride has a molecular weight of 252.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine;dihydrochloride is sourced from PubChem (CID 86812362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).