4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol

C15H22BrNO2 — CID 82982029

IUPAC4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol
SMILESCCOC1CCN(C(C)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C15H22BrNO2/c1-3-19-13-6-8-17(9-7-13)11(2)14-10-12(16)4-5-15(14)18/h4-5,10-11,13,18H,3,6-9H2,1-2H3
InChIKeyOYQYXMDAQMKESP-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.72
Rot. Bonds4

About 4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol

4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol (PubChem CID 82982029) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol
PubChem CID82982029
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol
SMILESCCOC1CCN(C(C)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C15H22BrNO2/c1-3-19-13-6-8-17(9-7-13)11(2)14-10-12(16)4-5-15(14)18/h4-5,10-11,13,18H,3,6-9H2,1-2H3
InChIKeyOYQYXMDAQMKESP-UHFFFAOYSA-N
XLogP3.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[1-(4-ethylazepan-1-yl)ethyl]phenol
CID 82981102
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4-bromo-2-[1-(4-cyclopentylpiperazin-1-yl)ethyl]phenol
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1-(4-bromo-2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 82775693
4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol
CID 102746762
4-bromo-2-[1-(cyclobutylmethylamino)ethyl]phenol
CID 104581979
N-[[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 82778922
4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
CID 63250598
2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol
CID 63596519
1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62617221
2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol
CID 79879842
1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61215953

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol?
The IUPAC name of 4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol (CID 82982029) is 4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol?
The canonical SMILES for 4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol is CCOC1CCN(C(C)c2cc(Br)ccc2O)CC1.
What is the InChIKey of 4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol?
The InChIKey is OYQYXMDAQMKESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-19-13-6-8-17(9-7-13)11(2)14-10-12(16)4-5-15(14)18/h4-5,10-11,13,18H,3,6-9H2,1-2H3.
What are the key properties of 4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol?
4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol has a molecular weight of 328.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol is sourced from PubChem (CID 82982029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).