9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane

C16H23BrN2O — CID 64833468

IUPAC9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CCNC3(CCCC3)C2)cc1Br
InChIInChI=1S/C16H23BrN2O/c1-20-15-5-4-13(10-14(15)17)11-19-9-8-18-16(12-19)6-2-3-7-16/h4-5,10,18H,2-3,6-9,11-12H2,1H3
InChIKeyDWUSKCLZDKYURC-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.18
Rot. Bonds3

About 9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane

9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64833468) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID64833468
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CCNC3(CCCC3)C2)cc1Br
InChIInChI=1S/C16H23BrN2O/c1-20-15-5-4-13(10-14(15)17)11-19-9-8-18-16(12-19)6-2-3-7-16/h4-5,10,18H,2-3,6-9,11-12H2,1H3
InChIKeyDWUSKCLZDKYURC-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833057
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
1-[(3-bromo-4-methoxyphenyl)methyl]-4,4-dimethylazepane
CID 65282649
9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64832860
9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952975
10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869301
1-[(3-bromo-4-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 64859030
4-[(3-bromo-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745328
4-[(3-bromo-5-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79712039
4-[(3-bromo-4-methoxyphenyl)methyl]thiomorpholine
CID 6456105
1-benzyl-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine
CID 1067931
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylpiperazine
CID 64832996

Frequently Asked Questions

What is the IUPAC name of 9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane (CID 64833468) is 9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane is COc1ccc(CN2CCNC3(CCCC3)C2)cc1Br.
What is the InChIKey of 9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is DWUSKCLZDKYURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-20-15-5-4-13(10-14(15)17)11-19-9-8-18-16(12-19)6-2-3-7-16/h4-5,10,18H,2-3,6-9,11-12H2,1H3.
What are the key properties of 9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane?
9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 339.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64833468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).