tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate

C26H30FN3O2 — CID 168743375

About tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 168743375) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate
• PubChem CID: 168743375
• Molecular Formula: C26H30FN3O2
• Molecular Weight: 435.54 g/mol
• Exact Mass: 435.23
• IUPAC Name: tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(c2cccc(C3CCc4cc(C#N)cc(F)c4C3)n2)CC1
• InChI: InChI=1S/C26H30FN3O2/c1-26(2,3)32-25(31)30-11-9-18(10-12-30)23-5-4-6-24(29-23)20-8-7-19-13-17(16-28)14-22(27)21(19)15-20/h4-6,13-14,18,20H,7-12,15H2,1-3H3
• InChIKey: AQVVNLQELWNNQH-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 66.22 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.54
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate (CID 168743375) is tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cccc(C3CCc4cc(C#N)cc(F)c4C3)n2)CC1.

What is the InChIKey of tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate?

The InChIKey is AQVVNLQELWNNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-26(2,3)32-25(31)30-11-9-18(10-12-30)23-5-4-6-24(29-23)20-8-7-19-13-17(16-28)14-22(27)21(19)15-20/h4-6,13-14,18,20H,7-12,15H2,1-3H3.

What are the key properties of tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate?

tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 435.54 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 168743375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).