3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane

C17H24FN — CID 79437998

IUPAC3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane
SMILESCCC1CCC2(CCNCC2c2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN/c1-2-13-7-8-17(11-13)9-10-19-12-16(17)14-3-5-15(18)6-4-14/h3-6,13,16,19H,2,7-12H2,1H3
InChIKeySKZCGKHIVFDSTQ-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.10
Rot. Bonds2

About 3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane

3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane (PubChem CID 79437998) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane
PubChem CID79437998
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane
SMILESCCC1CCC2(CCNCC2c2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN/c1-2-13-7-8-17(11-13)9-10-19-12-16(17)14-3-5-15(18)6-4-14/h3-6,13,16,19H,2,7-12H2,1H3
InChIKeySKZCGKHIVFDSTQ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
CID 79442268
5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane
CID 79432333
5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane
CID 79432872
5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane
CID 79433150
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 79450871
5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane
CID 79432055
5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79430330
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79439161
3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 64516010
5-(4-methylphenyl)-3-azaspiro[5.6]dodecane
CID 79441835
4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)
CID 159623116
2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane
CID 106824876

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane?
The IUPAC name of 3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane (CID 79437998) is 3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane?
The canonical SMILES for 3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane is CCC1CCC2(CCNCC2c2ccc(F)cc2)C1.
What is the InChIKey of 3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane?
The InChIKey is SKZCGKHIVFDSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-2-13-7-8-17(11-13)9-10-19-12-16(17)14-3-5-15(18)6-4-14/h3-6,13,16,19H,2,7-12H2,1H3.
What are the key properties of 3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane?
3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane has a molecular weight of 261.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane is sourced from PubChem (CID 79437998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).