8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride

C25H36ClFN2O2 — CID 67809484

About 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride

8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (PubChem CID 67809484) has the molecular formula C25H36ClFN2O2 and a molecular weight of 451.03 g/mol. Its IUPAC name is 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.

Molecular Properties

• Compound Name: 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
• PubChem CID: 67809484
• Molecular Formula: C25H36ClFN2O2
• Molecular Weight: 451.03 g/mol
• Exact Mass: 450.24
• IUPAC Name: 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
• SMILES: Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCC(C(F)c2ccccc2)CC1
• InChI: InChI=1S/C25H35FN2O2.ClH/c26-24(20-8-2-1-3-9-20)21-10-16-27(17-11-21)14-6-7-15-28-22(29)18-25(19-23(28)30)12-4-5-13-25;/h1-3,8-9,21,24H,4-7,10-19H2;1H
• InChIKey: RPLQOCMCTVFNRA-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.03
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?

The IUPAC name of 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (CID 67809484) is 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.

What is the SMILES notation for 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?

The canonical SMILES for 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCC(C(F)c2ccccc2)CC1.

What is the InChIKey of 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?

The InChIKey is RPLQOCMCTVFNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN2O2.ClH/c26-24(20-8-2-1-3-9-20)21-10-16-27(17-11-21)14-6-7-15-28-22(29)18-25(19-23(28)30)12-4-5-13-25;/h1-3,8-9,21,24H,4-7,10-19H2;1H.

What are the key properties of 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?

8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride has a molecular weight of 451.03 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4-[fluoro(phenyl)methyl]piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is sourced from PubChem (CID 67809484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).