[1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone

C27H37FN2O2Si — CID 67993156

About [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone

[1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone (PubChem CID 67993156) has the molecular formula C27H37FN2O2Si and a molecular weight of 468.69 g/mol. Its IUPAC name is [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone
• PubChem CID: 67993156
• Molecular Formula: C27H37FN2O2Si
• Molecular Weight: 468.69 g/mol
• Exact Mass: 468.26
• IUPAC Name: [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone
• SMILES: CC(C)(C)[Si](C)(C)OC1Cc2ccccc2CC1N1CCC(C(=O)c2ccc(F)nc2)CC1
• InChI: InChI=1S/C27H37FN2O2Si/c1-27(2,3)33(4,5)32-24-17-21-9-7-6-8-20(21)16-23(24)30-14-12-19(13-15-30)26(31)22-10-11-25(28)29-18-22/h6-11,18-19,23-24H,12-17H2,1-5H3
• InChIKey: CRSBNFADUYXOHW-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.69
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone?

The IUPAC name of [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone (CID 67993156) is [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone.

What is the SMILES notation for [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone?

The canonical SMILES for [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone is CC(C)(C)[Si](C)(C)OC1Cc2ccccc2CC1N1CCC(C(=O)c2ccc(F)nc2)CC1.

What is the InChIKey of [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone?

The InChIKey is CRSBNFADUYXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN2O2Si/c1-27(2,3)33(4,5)32-24-17-21-9-7-6-8-20(21)16-23(24)30-14-12-19(13-15-30)26(31)22-10-11-25(28)29-18-22/h6-11,18-19,23-24H,12-17H2,1-5H3.

What are the key properties of [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone?

[1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone has a molecular weight of 468.69 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 67993156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).