4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride

C15H22BrClN2O2 — CID 120907996

IUPAC4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride
SMILESCOc1cc(Br)c(CN2CCC3(CCNC3)C2)cc1O.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-20-14-7-12(16)11(6-13(14)19)8-18-5-3-15(10-18)2-4-17-9-15;/h6-7,17,19H,2-5,8-10H2,1H3;1H
InChIKeySJFRADOQPFKVIO-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.77
Rot. Bonds3

About 4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride

4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride (PubChem CID 120907996) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride
PubChem CID120907996
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride
SMILESCOc1cc(Br)c(CN2CCC3(CCNC3)C2)cc1O.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-20-14-7-12(16)11(6-13(14)19)8-18-5-3-15(10-18)2-4-17-9-15;/h6-7,17,19H,2-5,8-10H2,1H3;1H
InChIKeySJFRADOQPFKVIO-UHFFFAOYSA-N
XLogP2.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol
CID 120908197
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-4-bromo-2-methoxyphenol
CID 120780657
2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908668
2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907793
2-[(2-chloro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120966878
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908511
2-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907677
4-bromo-2-methoxy-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride
CID 120967778
2-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908600
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride (CID 120907996) is 4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride is COc1cc(Br)c(CN2CCC3(CCNC3)C2)cc1O.Cl.
What is the InChIKey of 4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride?
The InChIKey is SJFRADOQPFKVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-20-14-7-12(16)11(6-13(14)19)8-18-5-3-15(10-18)2-4-17-9-15;/h6-7,17,19H,2-5,8-10H2,1H3;1H.
What are the key properties of 4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride?
4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 120907996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).