4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine

C17H23N3 — CID 82463539

IUPAC4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine
SMILESCC(C)c1ccc(-c2ncc(C3CCNCC3)[nH]2)cc1
InChIInChI=1S/C17H23N3/c1-12(2)13-3-5-15(6-4-13)17-19-11-16(20-17)14-7-9-18-10-8-14/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyIBUCDOPELZKVCN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.67
Rot. Bonds3

About 4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine

4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine (PubChem CID 82463539) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine
PubChem CID82463539
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine
SMILESCC(C)c1ccc(-c2ncc(C3CCNCC3)[nH]2)cc1
InChIInChI=1S/C17H23N3/c1-12(2)13-3-5-15(6-4-13)17-19-11-16(20-17)14-7-9-18-10-8-14/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyIBUCDOPELZKVCN-UHFFFAOYSA-N
XLogP3.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine
CID 82463603
4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidine
CID 176967131
2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine
CID 123998942
[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol
CID 63108253
4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine
CID 82463609
N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 55178244
4-(2-benzyl-1H-imidazol-5-yl)piperidine
CID 18461127
2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
CID 18365254
cumene;4-methylpiperidine
CID 158684278
(5aS,10bR)-10-(4-propan-2-ylphenyl)-1,2,3,4,5,5a,6,10b-octahydroazepino[4,5-b]indole
CID 91511047
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine?
The IUPAC name of 4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine (CID 82463539) is 4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine.
What is the SMILES notation for 4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine?
The canonical SMILES for 4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine is CC(C)c1ccc(-c2ncc(C3CCNCC3)[nH]2)cc1.
What is the InChIKey of 4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine?
The InChIKey is IBUCDOPELZKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)13-3-5-15(6-4-13)17-19-11-16(20-17)14-7-9-18-10-8-14/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine?
4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine is sourced from PubChem (CID 82463539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).