4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine

C16H21N3O — CID 95474427

IUPAC4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
SMILESCOc1ccc(-c2cnc(C3CCNCC3)[nH]2)cc1C
InChIInChI=1S/C16H21N3O/c1-11-9-13(3-4-15(11)20-2)14-10-18-16(19-14)12-5-7-17-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyLLZIVRXCNKDMDZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds3

About 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine

4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine (PubChem CID 95474427) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
PubChem CID95474427
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
SMILESCOc1ccc(-c2cnc(C3CCNCC3)[nH]2)cc1C
InChIInChI=1S/C16H21N3O/c1-11-9-13(3-4-15(11)20-2)14-10-18-16(19-14)12-5-7-17-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyLLZIVRXCNKDMDZ-UHFFFAOYSA-N
XLogP2.86
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774
4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 66649801
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 71742558
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 116883439
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 90169763
2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
CID 145339728
3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride
CID 141220521
4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid
CID 160800300
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879058
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine (CID 95474427) is 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine is COc1ccc(-c2cnc(C3CCNCC3)[nH]2)cc1C.
What is the InChIKey of 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is LLZIVRXCNKDMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-9-13(3-4-15(11)20-2)14-10-18-16(19-14)12-5-7-17-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine?
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 271.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 95474427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).