4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine

C13H22N4 — CID 114722747

IUPAC4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine
SMILESCC1CN(C)CCC1n1cncc1C1CNC1
InChIInChI=1S/C13H22N4/c1-10-8-16(2)4-3-12(10)17-9-15-7-13(17)11-5-14-6-11/h7,9-12,14H,3-6,8H2,1-2H3
InChIKeyNPUGMLOANQZKHU-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.08
Rot. Bonds2

About 4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine

4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine (PubChem CID 114722747) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine.

Molecular Properties

Compound Name4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine
PubChem CID114722747
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine
SMILESCC1CN(C)CCC1n1cncc1C1CNC1
InChIInChI=1S/C13H22N4/c1-10-8-16(2)4-3-12(10)17-9-15-7-13(17)11-5-14-6-11/h7,9-12,14H,3-6,8H2,1-2H3
InChIKeyNPUGMLOANQZKHU-UHFFFAOYSA-N
XLogP1.08
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole
CID 114719037
2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine
CID 114722738
3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114706230
3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane
CID 114720708
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
2-methyl-6-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
CID 114717087
5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole
CID 114120912
5-(azetidin-3-yl)-1-pentylimidazole
CID 114716245
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
1-(2,4-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706222
5-(azetidin-3-yl)-1-hexan-3-ylimidazole
CID 114719856
1,3-dimethyl-4-pyrrol-1-ylpiperidine
CID 114505789

Frequently Asked Questions

What is the IUPAC name of 4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine?
The IUPAC name of 4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine (CID 114722747) is 4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine.
What is the SMILES notation for 4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine?
The canonical SMILES for 4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine is CC1CN(C)CCC1n1cncc1C1CNC1.
What is the InChIKey of 4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine?
The InChIKey is NPUGMLOANQZKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-8-16(2)4-3-12(10)17-9-15-7-13(17)11-5-14-6-11/h7,9-12,14H,3-6,8H2,1-2H3.
What are the key properties of 4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine?
4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine has a molecular weight of 234.35 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine is sourced from PubChem (CID 114722747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).