2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol

C16H24BrNO3 — CID 44827876

IUPAC2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol
SMILESCOc1cc(OC)c(CN2CCCCC2CCO)cc1Br
InChIInChI=1S/C16H24BrNO3/c1-20-15-10-16(21-2)14(17)9-12(15)11-18-7-4-3-5-13(18)6-8-19/h9-10,13,19H,3-8,11H2,1-2H3
InChIKeyUHAAZWQETDBWGO-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.20
Rot. Bonds6

About 2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol

2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol (PubChem CID 44827876) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol
PubChem CID44827876
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol
SMILESCOc1cc(OC)c(CN2CCCCC2CCO)cc1Br
InChIInChI=1S/C16H24BrNO3/c1-20-15-10-16(21-2)14(17)9-12(15)11-18-7-4-3-5-13(18)6-8-19/h9-10,13,19H,3-8,11H2,1-2H3
InChIKeyUHAAZWQETDBWGO-UHFFFAOYSA-N
XLogP3.20
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467283
1-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249976
(4aS,8aR)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6962645
3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468345
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidine-2-carbaldehyde
CID 62654782
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol
CID 62356314
[1-[(2-bromo-5-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 116637167
[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 99960060
3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
CID 107208527
N-[2-[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 112840806
2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 45192392
1-[(5-bromo-2-methoxyphenyl)methyl]-2-(bromomethyl)pyrrolidine
CID 80668876

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol (CID 44827876) is 2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol is COc1cc(OC)c(CN2CCCCC2CCO)cc1Br.
What is the InChIKey of 2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol?
The InChIKey is UHAAZWQETDBWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-20-15-10-16(21-2)14(17)9-12(15)11-18-7-4-3-5-13(18)6-8-19/h9-10,13,19H,3-8,11H2,1-2H3.
What are the key properties of 2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol?
2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol has a molecular weight of 358.28 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 44827876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).