1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol

C14H20BrNO2 — CID 82309039

IUPAC1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol
SMILESCOc1ccc(Br)cc1C(C)(O)C1CCNCC1
InChIInChI=1S/C14H20BrNO2/c1-14(17,10-5-7-16-8-6-10)12-9-11(15)3-4-13(12)18-2/h3-4,9-10,16-17H,5-8H2,1-2H3
InChIKeyCSBVACOEGKGTHB-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.66
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol

1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol (PubChem CID 82309039) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol
PubChem CID82309039
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol
SMILESCOc1ccc(Br)cc1C(C)(O)C1CCNCC1
InChIInChI=1S/C14H20BrNO2/c1-14(17,10-5-7-16-8-6-10)12-9-11(15)3-4-13(12)18-2/h3-4,9-10,16-17H,5-8H2,1-2H3
InChIKeyCSBVACOEGKGTHB-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol
CID 82304157
1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine
CID 83844871
2-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanone
CID 116547696
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
CID 84706055
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
CID 82779522
3-(5-bromo-2-methoxyphenyl)-3-methylbutan-2-one
CID 82306037
1-(3,4-dimethylphenyl)-1-piperidin-4-ylethanol
CID 82290252
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210447

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol (CID 82309039) is 1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol is COc1ccc(Br)cc1C(C)(O)C1CCNCC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol?
The InChIKey is CSBVACOEGKGTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(17,10-5-7-16-8-6-10)12-9-11(15)3-4-13(12)18-2/h3-4,9-10,16-17H,5-8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol?
1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol has a molecular weight of 314.22 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol is sourced from PubChem (CID 82309039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).