4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol

C13H18BrNO3 — CID 104707744

IUPAC4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol
SMILESCOc1ccc(OCC2(O)CCNCC2)c(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-17-10-2-3-12(11(14)8-10)18-9-13(16)4-6-15-7-5-13/h2-3,8,15-16H,4-7,9H2,1H3
InChIKeyXPCHPODRXPIXKW-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.95
Rot. Bonds4

About 4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol

4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol (PubChem CID 104707744) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol
PubChem CID104707744
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol
SMILESCOc1ccc(OCC2(O)CCNCC2)c(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-17-10-2-3-12(11(14)8-10)18-9-13(16)4-6-15-7-5-13/h2-3,8,15-16H,4-7,9H2,1H3
InChIKeyXPCHPODRXPIXKW-UHFFFAOYSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080
4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol
CID 81042741
1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol
CID 65213548
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
3-(2-bromo-4-methoxyphenoxy)azetidine
CID 53409199
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
3-(2-bromo-4-methoxyphenoxy)propanehydrazide
CID 104708593
2-(2,5-dimethoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891146
1-[[2-(aminomethyl)-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208427
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
ethane;4-(methoxymethyl)piperidin-4-ol
CID 143945280

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol?
The IUPAC name of 4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol (CID 104707744) is 4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol is COc1ccc(OCC2(O)CCNCC2)c(Br)c1.
What is the InChIKey of 4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol?
The InChIKey is XPCHPODRXPIXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-17-10-2-3-12(11(14)8-10)18-9-13(16)4-6-15-7-5-13/h2-3,8,15-16H,4-7,9H2,1H3.
What are the key properties of 4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol?
4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol has a molecular weight of 316.19 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol is sourced from PubChem (CID 104707744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).