3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine

C17H23N3 — CID 114702820

IUPAC3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
SMILESCC(C)c1ccc(-n2cncc2C2CCCNC2)cc1
InChIInChI=1S/C17H23N3/c1-13(2)14-5-7-16(8-6-14)20-12-19-11-17(20)15-4-3-9-18-10-15/h5-8,11-13,15,18H,3-4,9-10H2,1-2H3
InChIKeyXFKAOVSFLIGVDQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.46
Rot. Bonds3

About 3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine

3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine (PubChem CID 114702820) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
PubChem CID114702820
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
SMILESCC(C)c1ccc(-n2cncc2C2CCCNC2)cc1
InChIInChI=1S/C17H23N3/c1-13(2)14-5-7-16(8-6-14)20-12-19-11-17(20)15-4-3-9-18-10-15/h5-8,11-13,15,18H,3-4,9-10H2,1-2H3
InChIKeyXFKAOVSFLIGVDQ-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
CID 114704028
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702986
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
CID 114702647
3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
CID 114704110
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine (CID 114702820) is 3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine is CC(C)c1ccc(-n2cncc2C2CCCNC2)cc1.
What is the InChIKey of 3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine?
The InChIKey is XFKAOVSFLIGVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)14-5-7-16(8-6-14)20-12-19-11-17(20)15-4-3-9-18-10-15/h5-8,11-13,15,18H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine?
3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114702820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).