[2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C16H22BrFN2O — CID 91921719

IUPAC[2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(Cc2cc(F)cc(Br)c2)CC12CCNCC2
InChIInChI=1S/C16H22BrFN2O/c17-14-5-12(6-15(18)7-14)8-20-9-13(10-21)16(11-20)1-3-19-4-2-16/h5-7,13,19,21H,1-4,8-11H2
InChIKeySMMYMIBRSGSALV-UHFFFAOYSA-N
MW357.27 g/mol
LogP2.38
Rot. Bonds3

About [2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921719) has the molecular formula C16H22BrFN2O and a molecular weight of 357.27 g/mol. Its IUPAC name is [2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921719
Molecular FormulaC16H22BrFN2O
Molecular Weight357.27 g/mol
Exact Mass356.09
IUPAC Name[2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(Cc2cc(F)cc(Br)c2)CC12CCNCC2
InChIInChI=1S/C16H22BrFN2O/c17-14-5-12(6-15(18)7-14)8-20-9-13(10-21)16(11-20)1-3-19-4-2-16/h5-7,13,19,21H,1-4,8-11H2
InChIKeySMMYMIBRSGSALV-UHFFFAOYSA-N
XLogP2.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol with MolForge

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Related Compounds

[2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921720
[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921711
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpiperazine
CID 79701979
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
4-[(3-bromo-5-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79712039
4-[(3-bromo-5-fluorophenyl)methyl]-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114780762
1-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 79706473
4-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 91910494
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
(5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
CID 146071861
1-[(3-bromo-5-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 79711387
[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81219213

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921719) is [2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(Cc2cc(F)cc(Br)c2)CC12CCNCC2.
What is the InChIKey of [2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is SMMYMIBRSGSALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O/c17-14-5-12(6-15(18)7-14)8-20-9-13(10-21)16(11-20)1-3-19-4-2-16/h5-7,13,19,21H,1-4,8-11H2.
What are the key properties of [2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 357.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).