2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C24H33ClN2O3 — CID 120906722

IUPAC2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1cc(CN2CCC3(CCNCC3)C2)cc(OC)c1OCc1ccccc1.Cl
InChIInChI=1S/C24H32N2O3.ClH/c1-27-21-14-20(16-26-13-10-24(18-26)8-11-25-12-9-24)15-22(28-2)23(21)29-17-19-6-4-3-5-7-19;/h3-7,14-15,25H,8-13,16-18H2,1-2H3;1H
InChIKeyYGAACJRYYSMUQJ-UHFFFAOYSA-N
MW432.99 g/mol
LogP4.28
Rot. Bonds7

About 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120906722) has the molecular formula C24H33ClN2O3 and a molecular weight of 432.99 g/mol. Its IUPAC name is 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120906722
Molecular FormulaC24H33ClN2O3
Molecular Weight432.99 g/mol
Exact Mass432.22
IUPAC Name2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1cc(CN2CCC3(CCNCC3)C2)cc(OC)c1OCc1ccccc1.Cl
InChIInChI=1S/C24H32N2O3.ClH/c1-27-21-14-20(16-26-13-10-24(18-26)8-11-25-12-9-24)15-22(28-2)23(21)29-17-19-6-4-3-5-7-19;/h3-7,14-15,25H,8-13,16-18H2,1-2H3;1H
InChIKeyYGAACJRYYSMUQJ-UHFFFAOYSA-N
XLogP4.28
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.99
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906820
2-[(2-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716924
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906518
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907098
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907099
6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane
CID 97159672
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906669
2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907233
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907704
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120906722) is 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is COc1cc(CN2CCC3(CCNCC3)C2)cc(OC)c1OCc1ccccc1.Cl.
What is the InChIKey of 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is YGAACJRYYSMUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3.ClH/c1-27-21-14-20(16-26-13-10-24(18-26)8-11-25-12-9-24)15-22(28-2)23(21)29-17-19-6-4-3-5-7-19;/h3-7,14-15,25H,8-13,16-18H2,1-2H3;1H.
What are the key properties of 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 432.99 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120906722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).