trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane

C28H42F3N3O2Si — CID 170656007

About trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 170656007) has the molecular formula C28H42F3N3O2Si and a molecular weight of 537.74 g/mol. Its IUPAC name is trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 170656007
• Molecular Formula: C28H42F3N3O2Si
• Molecular Weight: 537.74 g/mol
• Exact Mass: 537.30
• IUPAC Name: trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCn1cc(C(F)(F)F)c(C2CCCN[C@H]2COC2CCC(c3ccccc3)CC2)n1
• InChI: InChI=1S/C28H42F3N3O2Si/c1-37(2,3)17-16-35-20-34-18-25(28(29,30)31)27(33-34)24-10-7-15-32-26(24)19-36-23-13-11-22(12-14-23)21-8-5-4-6-9-21/h4-6,8-9,18,22-24,26,32H,7,10-17,19-20H2,1-3H3/t22?,23?,24?,26-/m0/s1
• InChIKey: ZALVBPTXHORPSI-WCINTBDISA-N
• XLogP: 6.79
• TPSA: 48.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.74
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane (CID 170656007) is trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(C(F)(F)F)c(C2CCCN[C@H]2COC2CCC(c3ccccc3)CC2)n1.

What is the InChIKey of trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane?

The InChIKey is ZALVBPTXHORPSI-WCINTBDISA-N. The full InChI is InChI=1S/C28H42F3N3O2Si/c1-37(2,3)17-16-35-20-34-18-25(28(29,30)31)27(33-34)24-10-7-15-32-26(24)19-36-23-13-11-22(12-14-23)21-8-5-4-6-9-21/h4-6,8-9,18,22-24,26,32H,7,10-17,19-20H2,1-3H3/t22?,23?,24?,26-/m0/s1.

What are the key properties of trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 537.74 g/mol, XLogP of 6.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 170656007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).