9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane

C16H24N2O — CID 64930155

IUPAC9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCOc1ccc(N2CC3(CCCC3)NCC2C)cc1
InChIInChI=1S/C16H24N2O/c1-13-11-17-16(9-3-4-10-16)12-18(13)14-5-7-15(19-2)8-6-14/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyYDYRPYIJFDJVNR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.81
Rot. Bonds2

About 9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane

9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 64930155) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID64930155
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCOc1ccc(N2CC3(CCCC3)NCC2C)cc1
InChIInChI=1S/C16H24N2O/c1-13-11-17-16(9-3-4-10-16)12-18(13)14-5-7-15(19-2)8-6-14/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyYDYRPYIJFDJVNR-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705
8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane
CID 64934883
5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 64930940
4-(1-benzothiophen-5-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 65451106
4-(4-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107617374
4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931877
9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64947975
4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64946246
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
4-(4-chloro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107640021
4-(4-fluoro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 79772370
4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 103481704

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane (CID 64930155) is 9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane is COc1ccc(N2CC3(CCCC3)NCC2C)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is YDYRPYIJFDJVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-11-17-16(9-3-4-10-16)12-18(13)14-5-7-15(19-2)8-6-14/h5-8,13,17H,3-4,9-12H2,1-2H3.
What are the key properties of 9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 260.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64930155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).