2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C16H22BrClF2N2O — CID 120906855

IUPAC2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.FC(F)Oc1ccc(CN2CCC3(CCNCC3)C2)cc1Br
InChIInChI=1S/C16H21BrF2N2O.ClH/c17-13-9-12(1-2-14(13)22-15(18)19)10-21-8-5-16(11-21)3-6-20-7-4-16;/h1-2,9,15,20H,3-8,10-11H2;1H
InChIKeyYIJSOBLRUKUYPZ-UHFFFAOYSA-N
MW411.72 g/mol
LogP4.05
Rot. Bonds4

About 2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120906855) has the molecular formula C16H22BrClF2N2O and a molecular weight of 411.72 g/mol. Its IUPAC name is 2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120906855
Molecular FormulaC16H22BrClF2N2O
Molecular Weight411.72 g/mol
Exact Mass410.06
IUPAC Name2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.FC(F)Oc1ccc(CN2CCC3(CCNCC3)C2)cc1Br
InChIInChI=1S/C16H21BrF2N2O.ClH/c17-13-9-12(1-2-14(13)22-15(18)19)10-21-8-5-16(11-21)3-6-20-7-4-16;/h1-2,9,15,20H,3-8,10-11H2;1H
InChIKeyYIJSOBLRUKUYPZ-UHFFFAOYSA-N
XLogP4.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.72
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride with MolForge

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Related Compounds

2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120907405
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908185
2-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906708
2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906820
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
2-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908600
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906721
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120906855) is 2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is Cl.FC(F)Oc1ccc(CN2CCC3(CCNCC3)C2)cc1Br.
What is the InChIKey of 2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is YIJSOBLRUKUYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrF2N2O.ClH/c17-13-9-12(1-2-14(13)22-15(18)19)10-21-8-5-16(11-21)3-6-20-7-4-16;/h1-2,9,15,20H,3-8,10-11H2;1H.
What are the key properties of 2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 411.72 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120906855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).