2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine

C16H21N3 — CID 114695777

IUPAC2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine
SMILESCc1ccccc1-c1cncn1C1CCCNC1C
InChIInChI=1S/C16H21N3/c1-12-6-3-4-7-14(12)16-10-17-11-19(16)15-8-5-9-18-13(15)2/h3-4,6-7,10-11,13,15,18H,5,8-9H2,1-2H3
InChIKeyQINVTCIXNGHTNF-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.17
Rot. Bonds2

About 2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine

2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine (PubChem CID 114695777) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine
PubChem CID114695777
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine
SMILESCc1ccccc1-c1cncn1C1CCCNC1C
InChIInChI=1S/C16H21N3/c1-12-6-3-4-7-14(12)16-10-17-11-19(16)15-8-5-9-18-13(15)2/h3-4,6-7,10-11,13,15,18H,5,8-9H2,1-2H3
InChIKeyQINVTCIXNGHTNF-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine
CID 102738943
2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine
CID 114695790
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
7-(3-cyclobutylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114720083
3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine
CID 114695724
1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 123582838
2-(2-methylphenyl)-5-pyrrolidin-2-ylpyrazine
CID 155983162
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
1-methyl-5-[2-methyl-3-(2-methylphenyl)phenyl]imidazole
CID 138747000
7-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114718371
3-[3-(2,3-dimethylcyclopentyl)imidazol-4-yl]pyridin-2-amine
CID 114720988
1-[[5-(2-methylphenyl)imidazol-1-yl]methyl]cyclobutan-1-amine
CID 103354345

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine?
The IUPAC name of 2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine (CID 114695777) is 2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine.
What is the SMILES notation for 2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine?
The canonical SMILES for 2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine is Cc1ccccc1-c1cncn1C1CCCNC1C.
What is the InChIKey of 2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine?
The InChIKey is QINVTCIXNGHTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-6-3-4-7-14(12)16-10-17-11-19(16)15-8-5-9-18-13(15)2/h3-4,6-7,10-11,13,15,18H,5,8-9H2,1-2H3.
What are the key properties of 2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine?
2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine has a molecular weight of 255.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine is sourced from PubChem (CID 114695777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).