3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane

C17H25FN2 — CID 64933062

IUPAC3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1c1ccccc1F
InChIInChI=1S/C17H25FN2/c1-2-14-12-19-17(10-6-3-7-11-17)13-20(14)16-9-5-4-8-15(16)18/h4-5,8-9,14,19H,2-3,6-7,10-13H2,1H3
InChIKeySLDATZZLUSHSKU-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.72
Rot. Bonds2

About 3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane

3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64933062) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64933062
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1c1ccccc1F
InChIInChI=1S/C17H25FN2/c1-2-14-12-19-17(10-6-3-7-11-17)13-20(14)16-9-5-4-8-15(16)18/h4-5,8-9,14,19H,2-3,6-7,10-13H2,1H3
InChIKeySLDATZZLUSHSKU-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934134
9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64947782
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64931476
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64931267
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869
3-ethyl-4-(4-fluoro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane
CID 79762113
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 79046966
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241
8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane
CID 114840965
2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine
CID 64946133
8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane
CID 64935977

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane (CID 64933062) is 3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane is CCC1CNC2(CCCCC2)CN1c1ccccc1F.
What is the InChIKey of 3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is SLDATZZLUSHSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-2-14-12-19-17(10-6-3-7-11-17)13-20(14)16-9-5-4-8-15(16)18/h4-5,8-9,14,19H,2-3,6-7,10-13H2,1H3.
What are the key properties of 3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane?
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 276.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64933062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).