2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol

C16H24BrNO3 — CID 62356314

IUPAC2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol
SMILESCOc1cc(CN2CCCC(CCO)C2)c(OC)cc1Br
InChIInChI=1S/C16H24BrNO3/c1-20-15-9-14(17)16(21-2)8-13(15)11-18-6-3-4-12(10-18)5-7-19/h8-9,12,19H,3-7,10-11H2,1-2H3
InChIKeyGSARRYHBJJAAPR-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.06
Rot. Bonds6

About 2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol

2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol (PubChem CID 62356314) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol
PubChem CID62356314
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol
SMILESCOc1cc(CN2CCCC(CCO)C2)c(OC)cc1Br
InChIInChI=1S/C16H24BrNO3/c1-20-15-9-14(17)16(21-2)8-13(15)11-18-6-3-4-12(10-18)5-7-19/h8-9,12,19H,3-7,10-11H2,1-2H3
InChIKeyGSARRYHBJJAAPR-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidine-3-carbaldehyde
CID 62654922
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672717
3-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467283
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
3-bromo-4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 107227881
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 43441437
2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 44827876
(3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1069661
1-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-chloroethyl)piperidine
CID 65326785
2-bromo-4-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 30842642
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine
CID 113235650

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol (CID 62356314) is 2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol is COc1cc(CN2CCCC(CCO)C2)c(OC)cc1Br.
What is the InChIKey of 2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol?
The InChIKey is GSARRYHBJJAAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-20-15-9-14(17)16(21-2)8-13(15)11-18-6-3-4-12(10-18)5-7-19/h8-9,12,19H,3-7,10-11H2,1-2H3.
What are the key properties of 2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol?
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol has a molecular weight of 358.28 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 62356314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).