4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine

C12H21N3O — CID 118423117

IUPAC4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine
SMILESCC1=CN(C2CCN(C3COC3)CC2)CN1
InChIInChI=1S/C12H21N3O/c1-10-6-15(9-13-10)11-2-4-14(5-3-11)12-7-16-8-12/h6,11-13H,2-5,7-9H2,1H3
InChIKeyINBJDRJOYPRXTN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.57
Rot. Bonds2

About 4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine

4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine (PubChem CID 118423117) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine
PubChem CID118423117
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine
SMILESCC1=CN(C2CCN(C3COC3)CC2)CN1
InChIInChI=1S/C12H21N3O/c1-10-6-15(9-13-10)11-2-4-14(5-3-11)12-7-16-8-12/h6,11-13H,2-5,7-9H2,1H3
InChIKeyINBJDRJOYPRXTN-UHFFFAOYSA-N
XLogP0.57
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine (CID 118423117) is 4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine is CC1=CN(C2CCN(C3COC3)CC2)CN1.
What is the InChIKey of 4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine?
The InChIKey is INBJDRJOYPRXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-6-15(9-13-10)11-2-4-14(5-3-11)12-7-16-8-12/h6,11-13H,2-5,7-9H2,1H3.
What are the key properties of 4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine?
4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine has a molecular weight of 223.32 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2-dihydroimidazol-3-yl)-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 118423117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).