trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

C28H37F3N4O2Si — CID 123155962

About trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 123155962) has the molecular formula C28H37F3N4O2Si and a molecular weight of 546.71 g/mol. Its IUPAC name is trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 123155962
• Molecular Formula: C28H37F3N4O2Si
• Molecular Weight: 546.71 g/mol
• Exact Mass: 546.26
• IUPAC Name: trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
• SMILES: Cc1cccc(OCC2CCN(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)c1
• InChI: InChI=1S/C28H37F3N4O2Si/c1-21-6-5-7-24(16-21)37-19-22-10-12-34(13-11-22)26-9-8-23(17-32-26)27-33-25(28(29,30)31)18-35(27)20-36-14-15-38(2,3)4/h5-9,16-18,22H,10-15,19-20H2,1-4H3
• InChIKey: HCZWWTGJZLFPBS-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 52.41 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.71
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (CID 123155962) is trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is Cc1cccc(OCC2CCN(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)c1.

What is the InChIKey of trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?

The InChIKey is HCZWWTGJZLFPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F3N4O2Si/c1-21-6-5-7-24(16-21)37-19-22-10-12-34(13-11-22)26-9-8-23(17-32-26)27-33-25(28(29,30)31)18-35(27)20-36-14-15-38(2,3)4/h5-9,16-18,22H,10-15,19-20H2,1-4H3.

What are the key properties of trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 546.71 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 123155962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).