3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane

C18H27FN2 — CID 64931267

IUPAC3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1c1cc(F)ccc1C
InChIInChI=1S/C18H27FN2/c1-3-16-12-20-18(9-5-4-6-10-18)13-21(16)17-11-15(19)8-7-14(17)2/h7-8,11,16,20H,3-6,9-10,12-13H2,1-2H3
InChIKeyGHQXWUUNWUVWNH-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.03
Rot. Bonds2

About 3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane

3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64931267) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64931267
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1c1cc(F)ccc1C
InChIInChI=1S/C18H27FN2/c1-3-16-12-20-18(9-5-4-6-10-18)13-21(16)17-11-15(19)8-7-14(17)2/h7-8,11,16,20H,3-6,9-10,12-13H2,1-2H3
InChIKeyGHQXWUUNWUVWNH-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-(4-fluoro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane
CID 79762113
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64931265
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64931476
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 79046966
9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64947782
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025
9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 65499291
9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934134
2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64954694
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64926208
4-(4-fluoro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 79772370

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane (CID 64931267) is 3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane is CCC1CNC2(CCCCC2)CN1c1cc(F)ccc1C.
What is the InChIKey of 3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is GHQXWUUNWUVWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-3-16-12-20-18(9-5-4-6-10-18)13-21(16)17-11-15(19)8-7-14(17)2/h7-8,11,16,20H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.43 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64931267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).