3-(2-methylimidazol-1-yl)piperidine;dihydrochloride

C9H17Cl2N3 — CID 54592668

IUPAC3-(2-methylimidazol-1-yl)piperidine;dihydrochloride
SMILESCc1nccn1C1CCCNC1.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-8-11-5-6-12(8)9-3-2-4-10-7-9;;/h5-6,9-10H,2-4,7H2,1H3;2*1H
InChIKeyJNBXDCVUUYPBNF-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.96
Rot. Bonds1

About 3-(2-methylimidazol-1-yl)piperidine;dihydrochloride

3-(2-methylimidazol-1-yl)piperidine;dihydrochloride (PubChem CID 54592668) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)piperidine;dihydrochloride
PubChem CID54592668
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name3-(2-methylimidazol-1-yl)piperidine;dihydrochloride
SMILESCc1nccn1C1CCCNC1.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-8-11-5-6-12(8)9-3-2-4-10-7-9;;/h5-6,9-10H,2-4,7H2,1H3;2*1H
InChIKeyJNBXDCVUUYPBNF-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 3-(2-methylimidazol-1-yl)piperidine;dihydrochloride?
The IUPAC name of 3-(2-methylimidazol-1-yl)piperidine;dihydrochloride (CID 54592668) is 3-(2-methylimidazol-1-yl)piperidine;dihydrochloride.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)piperidine;dihydrochloride?
The canonical SMILES for 3-(2-methylimidazol-1-yl)piperidine;dihydrochloride is Cc1nccn1C1CCCNC1.Cl.Cl.
What is the InChIKey of 3-(2-methylimidazol-1-yl)piperidine;dihydrochloride?
The InChIKey is JNBXDCVUUYPBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-8-11-5-6-12(8)9-3-2-4-10-7-9;;/h5-6,9-10H,2-4,7H2,1H3;2*1H.
What are the key properties of 3-(2-methylimidazol-1-yl)piperidine;dihydrochloride?
3-(2-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 3-(2-methylimidazol-1-yl)piperidine;dihydrochloride is sourced from PubChem (CID 54592668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).