5-methyl-2-(1-methylimidazol-2-yl)piperidine

C10H17N3 — CID 106779130

IUPAC5-methyl-2-(1-methylimidazol-2-yl)piperidine
SMILESCC1CCC(c2nccn2C)NC1
InChIInChI=1S/C10H17N3/c1-8-3-4-9(12-7-8)10-11-5-6-13(10)2/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyBBSVRRZVXVFKBF-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.48
Rot. Bonds1

About 5-methyl-2-(1-methylimidazol-2-yl)piperidine

5-methyl-2-(1-methylimidazol-2-yl)piperidine (PubChem CID 106779130) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-methyl-2-(1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name5-methyl-2-(1-methylimidazol-2-yl)piperidine
PubChem CID106779130
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-methyl-2-(1-methylimidazol-2-yl)piperidine
SMILESCC1CCC(c2nccn2C)NC1
InChIInChI=1S/C10H17N3/c1-8-3-4-9(12-7-8)10-11-5-6-13(10)2/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyBBSVRRZVXVFKBF-UHFFFAOYSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)piperidine?
The IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)piperidine (CID 106779130) is 5-methyl-2-(1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for 5-methyl-2-(1-methylimidazol-2-yl)piperidine?
The canonical SMILES for 5-methyl-2-(1-methylimidazol-2-yl)piperidine is CC1CCC(c2nccn2C)NC1.
What is the InChIKey of 5-methyl-2-(1-methylimidazol-2-yl)piperidine?
The InChIKey is BBSVRRZVXVFKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-3-4-9(12-7-8)10-11-5-6-13(10)2/h5-6,8-9,12H,3-4,7H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylimidazol-2-yl)piperidine?
5-methyl-2-(1-methylimidazol-2-yl)piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 106779130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).