(5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone

C13H16BrNO3 — CID 47131309

IUPAC(5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C13H16BrNO3/c1-18-10-4-6-15(7-5-10)13(17)11-8-9(14)2-3-12(11)16/h2-3,8,10,16H,4-7H2,1H3
InChIKeyWEOUUQZMSLIKIV-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.41
Rot. Bonds2

About (5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone

(5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 47131309) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID47131309
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name(5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C13H16BrNO3/c1-18-10-4-6-15(7-5-10)13(17)11-8-9(14)2-3-12(11)16/h2-3,8,10,16H,4-7H2,1H3
InChIKeyWEOUUQZMSLIKIV-UHFFFAOYSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone (CID 47131309) is (5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2cc(Br)ccc2O)CC1.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is WEOUUQZMSLIKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-18-10-4-6-15(7-5-10)13(17)11-8-9(14)2-3-12(11)16/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of (5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
(5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 314.18 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 47131309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).