9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane

C16H22BrClN2 — CID 107617370

IUPAC9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H22BrClN2/c1-2-12-10-19-16(7-3-4-8-16)11-20(12)13-5-6-14(17)15(18)9-13/h5-6,9,12,19H,2-4,7-8,10-11H2,1H3
InChIKeyQEOJGWSYTFMJML-UHFFFAOYSA-N
MW357.72 g/mol
LogP4.60
Rot. Bonds2

About 9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane

9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane (PubChem CID 107617370) has the molecular formula C16H22BrClN2 and a molecular weight of 357.72 g/mol. Its IUPAC name is 9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
PubChem CID107617370
Molecular FormulaC16H22BrClN2
Molecular Weight357.72 g/mol
Exact Mass356.07
IUPAC Name9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H22BrClN2/c1-2-12-10-19-16(7-3-4-8-16)11-20(12)13-5-6-14(17)15(18)9-13/h5-6,9,12,19H,2-4,7-8,10-11H2,1H3
InChIKeyQEOJGWSYTFMJML-UHFFFAOYSA-N
XLogP4.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107617374
1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 107617330
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025
8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane
CID 64935977
9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934134
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
9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 65499291
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
1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64934524
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane (CID 107617370) is 9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1c1ccc(Br)c(Cl)c1.
What is the InChIKey of 9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is QEOJGWSYTFMJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2/c1-2-12-10-19-16(7-3-4-8-16)11-20(12)13-5-6-14(17)15(18)9-13/h5-6,9,12,19H,2-4,7-8,10-11H2,1H3.
What are the key properties of 9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 357.72 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 107617370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).