4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane

C16H23BrN2O — CID 64954511

IUPAC4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCOc1ccc(Br)cc1N1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H23BrN2O/c1-20-15-6-5-13(17)11-14(15)19-10-9-18-16(12-19)7-3-2-4-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3
InChIKeyHAIKMDSCNLMYHX-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.57
Rot. Bonds2

About 4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane

4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64954511) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64954511
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCOc1ccc(Br)cc1N1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H23BrN2O/c1-20-15-6-5-13(17)11-14(15)19-10-9-18-16(12-19)7-3-2-4-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3
InChIKeyHAIKMDSCNLMYHX-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3,3-dimethylpiperazine
CID 64954711
10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64942821
10-(4-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64943378
10-(4-bromo-2-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64943983
9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane
CID 64925677
9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833468
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64926208
4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64926469
1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine
CID 64926759
4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64924817
10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane
CID 114840945
4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 65431049

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane (CID 64954511) is 4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane is COc1ccc(Br)cc1N1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is HAIKMDSCNLMYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-20-15-6-5-13(17)11-14(15)19-10-9-18-16(12-19)7-3-2-4-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3.
What are the key properties of 4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane?
4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 339.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64954511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).