[3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol

C14H19Br2NO2 — CID 107738824

IUPAC[3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol
SMILESOCc1cc(Br)c(OCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C14H19Br2NO2/c15-12-8-11(10-18)9-13(16)14(12)19-7-6-17-4-2-1-3-5-17/h8-9,18H,1-7,10H2
InChIKeyNVTYJGFYMMFVFL-UHFFFAOYSA-N
MW393.12 g/mol
LogP3.57
Rot. Bonds5

About [3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol

[3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol (PubChem CID 107738824) has the molecular formula C14H19Br2NO2 and a molecular weight of 393.12 g/mol. Its IUPAC name is [3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol
PubChem CID107738824
Molecular FormulaC14H19Br2NO2
Molecular Weight393.12 g/mol
Exact Mass390.98
IUPAC Name[3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol
SMILESOCc1cc(Br)c(OCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C14H19Br2NO2/c15-12-8-11(10-18)9-13(16)14(12)19-7-6-17-4-2-1-3-5-17/h8-9,18H,1-7,10H2
InChIKeyNVTYJGFYMMFVFL-UHFFFAOYSA-N
XLogP3.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-dibromo-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 107739417
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
3-bromo-5-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910960
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60905299
1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine
CID 171109307
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
3-bromo-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685925
2-bromo-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 107278359

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The IUPAC name of [3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol (CID 107738824) is [3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The canonical SMILES for [3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol is OCc1cc(Br)c(OCCN2CCCCC2)c(Br)c1.
What is the InChIKey of [3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The InChIKey is NVTYJGFYMMFVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO2/c15-12-8-11(10-18)9-13(16)14(12)19-7-6-17-4-2-1-3-5-17/h8-9,18H,1-7,10H2.
What are the key properties of [3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol?
[3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol has a molecular weight of 393.12 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 107738824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).