2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane

C18H28N2O — CID 120906518

IUPAC2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOc1c(C)cc(CN2CCC3(CCNCC3)C2)cc1C
InChIInChI=1S/C18H28N2O/c1-14-10-16(11-15(2)17(14)21-3)12-20-9-6-18(13-20)4-7-19-8-5-18/h10-11,19H,4-9,12-13H2,1-3H3
InChIKeyLXYWIINFVUCDMD-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.89
Rot. Bonds3

About 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane

2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120906518) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120906518
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOc1c(C)cc(CN2CCC3(CCNCC3)C2)cc1C
InChIInChI=1S/C18H28N2O/c1-14-10-16(11-15(2)17(14)21-3)12-20-9-6-18(13-20)4-7-19-8-5-18/h10-11,19H,4-9,12-13H2,1-3H3
InChIKeyLXYWIINFVUCDMD-UHFFFAOYSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906721
2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906722
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane
CID 97159672
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906860
2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717925
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906859
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213
2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906603
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907099

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane (CID 120906518) is 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane is COc1c(C)cc(CN2CCC3(CCNCC3)C2)cc1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is LXYWIINFVUCDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-10-16(11-15(2)17(14)21-3)12-20-9-6-18(13-20)4-7-19-8-5-18/h10-11,19H,4-9,12-13H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 288.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120906518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).