2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C17H27ClN2O2 — CID 120906879

IUPAC2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1ccc(OC)c(CN2CCC3(CCNCC3)C2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-20-15-3-4-16(21-2)14(11-15)12-19-10-7-17(13-19)5-8-18-9-6-17;/h3-4,11,18H,5-10,12-13H2,1-2H3;1H
InChIKeyHCVJCCJNGJKUSM-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.70
Rot. Bonds4

About 2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120906879) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120906879
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1ccc(OC)c(CN2CCC3(CCNCC3)C2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-20-15-3-4-16(21-2)14(11-15)12-19-10-7-17(13-19)5-8-18-9-6-17;/h3-4,11,18H,5-10,12-13H2,1-2H3;1H
InChIKeyHCVJCCJNGJKUSM-UHFFFAOYSA-N
XLogP2.70
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,5-dimethoxyphenyl)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-[(2-chloro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120966878
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907098
2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907099
2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907591
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperazine
CID 82303802
2-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908600
2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907793
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906859
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 56754640
2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906820

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120906879) is 2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is COc1ccc(OC)c(CN2CCC3(CCNCC3)C2)c1.Cl.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is HCVJCCJNGJKUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-20-15-3-4-16(21-2)14(11-15)12-19-10-7-17(13-19)5-8-18-9-6-17;/h3-4,11,18H,5-10,12-13H2,1-2H3;1H.
What are the key properties of 2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120906879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).