4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine

C15H21N3O — CID 82245812

IUPAC4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine
SMILESCN1CCC(Oc2cccc(C3=NCCN3)c2)CC1
InChIInChI=1S/C15H21N3O/c1-18-9-5-13(6-10-18)19-14-4-2-3-12(11-14)15-16-7-8-17-15/h2-4,11,13H,5-10H2,1H3,(H,16,17)
InChIKeyLABGVBASMFMRNA-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.51
Rot. Bonds3

About 4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine

4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine (PubChem CID 82245812) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine
PubChem CID82245812
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine
SMILESCN1CCC(Oc2cccc(C3=NCCN3)c2)CC1
InChIInChI=1S/C15H21N3O/c1-18-9-5-13(6-10-18)19-14-4-2-3-12(11-14)15-16-7-8-17-15/h2-4,11,13H,5-10H2,1H3,(H,16,17)
InChIKeyLABGVBASMFMRNA-UHFFFAOYSA-N
XLogP1.51
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine?
The IUPAC name of 4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine (CID 82245812) is 4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine?
The canonical SMILES for 4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine is CN1CCC(Oc2cccc(C3=NCCN3)c2)CC1.
What is the InChIKey of 4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine?
The InChIKey is LABGVBASMFMRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-9-5-13(6-10-18)19-14-4-2-3-12(11-14)15-16-7-8-17-15/h2-4,11,13H,5-10H2,1H3,(H,16,17).
What are the key properties of 4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine?
4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine has a molecular weight of 259.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine is sourced from PubChem (CID 82245812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).