4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine

C19H27N3O2 — CID 70727746

IUPAC4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine
SMILESCOc1cccc(-c2nccn2CCCOC2CCN(C)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-21-11-7-17(8-12-21)24-14-4-10-22-13-9-20-19(22)16-5-3-6-18(15-16)23-2/h3,5-6,9,13,15,17H,4,7-8,10-12,14H2,1-2H3
InChIKeyRCYOPVWNZKUBJO-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.06
Rot. Bonds7

About 4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine

4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine (PubChem CID 70727746) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine
PubChem CID70727746
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine
SMILESCOc1cccc(-c2nccn2CCCOC2CCN(C)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-21-11-7-17(8-12-21)24-14-4-10-22-13-9-20-19(22)16-5-3-6-18(15-16)23-2/h3,5-6,9,13,15,17H,4,7-8,10-12,14H2,1-2H3
InChIKeyRCYOPVWNZKUBJO-UHFFFAOYSA-N
XLogP3.06
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine?
The IUPAC name of 4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine (CID 70727746) is 4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine?
The canonical SMILES for 4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine is COc1cccc(-c2nccn2CCCOC2CCN(C)CC2)c1.
What is the InChIKey of 4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine?
The InChIKey is RCYOPVWNZKUBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-11-7-17(8-12-21)24-14-4-10-22-13-9-20-19(22)16-5-3-6-18(15-16)23-2/h3,5-6,9,13,15,17H,4,7-8,10-12,14H2,1-2H3.
What are the key properties of 4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine?
4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine has a molecular weight of 329.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy]-1-methylpiperidine is sourced from PubChem (CID 70727746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).