2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C23H30ClFN2O2 — CID 120906820

IUPAC2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1cc(CN2CCC3(CCNCC3)C2)ccc1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C23H29FN2O2.ClH/c1-27-22-14-19(15-26-13-10-23(17-26)8-11-25-12-9-23)4-7-21(22)28-16-18-2-5-20(24)6-3-18;/h2-7,14,25H,8-13,15-17H2,1H3;1H
InChIKeyVQCAQWYVNQAGFM-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.41
Rot. Bonds6

About 2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120906820) has the molecular formula C23H30ClFN2O2 and a molecular weight of 420.96 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120906820
Molecular FormulaC23H30ClFN2O2
Molecular Weight420.96 g/mol
Exact Mass420.20
IUPAC Name2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1cc(CN2CCC3(CCNCC3)C2)ccc1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C23H29FN2O2.ClH/c1-27-22-14-19(15-26-13-10-23(17-26)8-11-25-12-9-23)4-7-21(22)28-16-18-2-5-20(24)6-3-18;/h2-7,14,25H,8-13,15-17H2,1H3;1H
InChIKeyVQCAQWYVNQAGFM-UHFFFAOYSA-N
XLogP4.41
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]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-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906722
2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908013
1-[1-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120967797
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[(2-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716924
2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906855
2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908142
2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907233
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908585

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120906820) is 2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is COc1cc(CN2CCC3(CCNCC3)C2)ccc1OCc1ccc(F)cc1.Cl.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is VQCAQWYVNQAGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2.ClH/c1-27-22-14-19(15-26-13-10-23(17-26)8-11-25-12-9-23)4-7-21(22)28-16-18-2-5-20(24)6-3-18;/h2-7,14,25H,8-13,15-17H2,1H3;1H.
What are the key properties of 2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 420.96 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120906820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).