6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine

C105H183FN8O — CID 158218668

About 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine

6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine (PubChem CID 158218668) has the molecular formula C105H183FN8O and a molecular weight of 1592.67 g/mol. Its IUPAC name is 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine.

Molecular Properties

• Compound Name: 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine
• PubChem CID: 158218668
• Molecular Formula: C105H183FN8O
• Molecular Weight: 1592.67 g/mol
• Exact Mass: 1591.45
• IUPAC Name: 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine
• SMILES: CC(C)(C)C#CCN1CCC(C)(F)CC1.CC(C)(C)C#CCN1CCC2(CC1)CC2.CC(C)(C)C#CCN1CCCCCC1.CC1CCN(CC#CC(C)(C)C)CC1.CC1CCN(CC#CC(C)(C)C)CC1.COC1CCN(CC#CC(C)(C)C)CC1.C[C@@H]1CCCN(CC#CC(C)(C)C)C1.C[C@H]1CCCN(CC#CC(C)(C)C)C1
• InChI: InChI=1S/C14H23N.C13H22FN.C13H23NO.5C13H23N/c1-13(2,3)5-4-10-15-11-8-14(6-7-14)9-12-15;1-12(2,3)6-5-9-15-10-7-13(4,14)8-11-15;1-13(2,3)8-5-9-14-10-6-12(15-4)7-11-14;2*1-12-6-10-14(11-7-12)9-5-8-13(2,3)4;2*1-12-7-5-9-14(11-12)10-6-8-13(2,3)4;1-13(2,3)9-8-12-14-10-6-4-5-7-11-14/h6-12H2,1-3H3;7-11H2,1-4H3;12H,6-7,9-11H2,1-4H3;2*12H,6-7,9-11H2,1-4H3;2*12H,5,7,9-11H2,1-4H3;4-7,10-12H2,1-3H3/t;;;;;2*12-;/m.....10./s1
• InChIKey: GCYZRGMODNLTBA-NOMZTZMKSA-N
• XLogP: 21.90
• TPSA: 35.15 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1592.67
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine?

The IUPAC name of 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine (CID 158218668) is 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine.

What is the SMILES notation for 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine?

The canonical SMILES for 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine is CC(C)(C)C#CCN1CCC(C)(F)CC1.CC(C)(C)C#CCN1CCC2(CC1)CC2.CC(C)(C)C#CCN1CCCCCC1.CC1CCN(CC#CC(C)(C)C)CC1.CC1CCN(CC#CC(C)(C)C)CC1.COC1CCN(CC#CC(C)(C)C)CC1.C[C@@H]1CCCN(CC#CC(C)(C)C)C1.C[C@H]1CCCN(CC#CC(C)(C)C)C1.

What is the InChIKey of 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine?

The InChIKey is GCYZRGMODNLTBA-NOMZTZMKSA-N. The full InChI is InChI=1S/C14H23N.C13H22FN.C13H23NO.5C13H23N/c1-13(2,3)5-4-10-15-11-8-14(6-7-14)9-12-15;1-12(2,3)6-5-9-15-10-7-13(4,14)8-11-15;1-13(2,3)8-5-9-14-10-6-12(15-4)7-11-14;2*1-12-6-10-14(11-7-12)9-5-8-13(2,3)4;2*1-12-7-5-9-14(11-12)10-6-8-13(2,3)4;1-13(2,3)9-8-12-14-10-6-4-5-7-11-14/h6-12H2,1-3H3;7-11H2,1-4H3;12H,6-7,9-11H2,1-4H3;2*12H,6-7,9-11H2,1-4H3;2*12H,5,7,9-11H2,1-4H3;4-7,10-12H2,1-3H3/t;;;;;2*12-;/m.....10./s1.

What are the key properties of 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine?

6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine has a molecular weight of 1592.67 g/mol, XLogP of 21.90, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,4-dimethylpent-2-ynyl)-6-azaspiro[2.5]octane;1-(4,4-dimethylpent-2-ynyl)azepane;1-(4,4-dimethylpent-2-ynyl)-4-fluoro-4-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methoxypiperidine;bis(1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine);(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine is sourced from PubChem (CID 158218668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).