4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine

C16H21N3 — CID 114703213

IUPAC4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine
SMILESCc1ccc(C)c(-n2cncc2C2CCNCC2)c1
InChIInChI=1S/C16H21N3/c1-12-3-4-13(2)15(9-12)19-11-18-10-16(19)14-5-7-17-8-6-14/h3-4,9-11,14,17H,5-8H2,1-2H3
InChIKeyGYMKDBBXHPZMRL-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.96
Rot. Bonds2

About 4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine

4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine (PubChem CID 114703213) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine
PubChem CID114703213
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine
SMILESCc1ccc(C)c(-n2cncc2C2CCNCC2)c1
InChIInChI=1S/C16H21N3/c1-12-3-4-13(2)15(9-12)19-11-18-10-16(19)14-5-7-17-8-6-14/h3-4,9-11,14,17H,5-8H2,1-2H3
InChIKeyGYMKDBBXHPZMRL-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703160
4-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]piperidine
CID 114703013
4-[3-(2-fluorophenyl)imidazol-4-yl]piperidine
CID 114703452
1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716753
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
CID 114702647
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
(4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline
CID 96620560
4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702984
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine
CID 114706284
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine (CID 114703213) is 4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine is Cc1ccc(C)c(-n2cncc2C2CCNCC2)c1.
What is the InChIKey of 4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine?
The InChIKey is GYMKDBBXHPZMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-3-4-13(2)15(9-12)19-11-18-10-16(19)14-5-7-17-8-6-14/h3-4,9-11,14,17H,5-8H2,1-2H3.
What are the key properties of 4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine?
4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114703213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).