8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane

C18H26FNO — CID 18342615

IUPAC8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)CC(c1ccc(F)cc1)CO2
InChIInChI=1S/C18H26FNO/c1-17(2,3)20-10-8-18(9-11-20)12-15(13-21-18)14-4-6-16(19)7-5-14/h4-7,15H,8-13H2,1-3H3
InChIKeyKZHXOOUIFOJSRI-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.96
Rot. Bonds1

About 8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane

8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 18342615) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID18342615
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)CC(c1ccc(F)cc1)CO2
InChIInChI=1S/C18H26FNO/c1-17(2,3)20-10-8-18(9-11-20)12-15(13-21-18)14-4-6-16(19)7-5-14/h4-7,15H,8-13H2,1-3H3
InChIKeyKZHXOOUIFOJSRI-UHFFFAOYSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563683
4-Butyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563684
1'-butyl-1-(3-fluoropropyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44474780
1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 53321734
US11214540, Example 21
CID 142475107
4-Benzyl-1,2,5-trimethylpiperidin-4-ol
CID 612649
1-Oxaspiro(4.5)decane-3-methanamine, N,N-dimethyl-4-phenyl-, hydrochloride
CID 3061086
Piperidine, 1-((4-(4-methylphenyl)-1-oxaspiro(4.5)dec-3-yl)methyl)-, hydrochloride
CID 3061097
(3S,4R)-3-benzyl-4-methoxy-1-(oxan-4-yl)piperidine
CID 97422405
(3S,4S)-3-benzyl-4-methoxy-1-(oxan-4-yl)piperidine
CID 97422724
8-Butyl-3-(2,3-difluorophenyl)-3-methoxy-8-methyl-8-azoniabicyclo[3.2.1]octane
CID 91074329
1-(3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl)pyrrolidine
CID 165368308

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane (CID 18342615) is 8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane is CC(C)(C)N1CCC2(CC1)CC(c1ccc(F)cc1)CO2.
What is the InChIKey of 8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is KZHXOOUIFOJSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-17(2,3)20-10-8-18(9-11-20)12-15(13-21-18)14-4-6-16(19)7-5-14/h4-7,15H,8-13H2,1-3H3.
What are the key properties of 8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane?
8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 291.41 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 18342615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).