(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone

C12H13Br2NO2 — CID 80662371

IUPAC(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1O)N1CCC(Br)CC1
InChIInChI=1S/C12H13Br2NO2/c13-8-3-5-15(6-4-8)12(17)10-2-1-9(14)7-11(10)16/h1-2,7-8,16H,3-6H2
InChIKeySHACXLQKXABDBC-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.15
Rot. Bonds1

About (4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone

(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone (PubChem CID 80662371) has the molecular formula C12H13Br2NO2 and a molecular weight of 363.05 g/mol. Its IUPAC name is (4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone
PubChem CID80662371
Molecular FormulaC12H13Br2NO2
Molecular Weight363.05 g/mol
Exact Mass360.93
IUPAC Name(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1O)N1CCC(Br)CC1
InChIInChI=1S/C12H13Br2NO2/c13-8-3-5-15(6-4-8)12(17)10-2-1-9(14)7-11(10)16/h1-2,7-8,16H,3-6H2
InChIKeySHACXLQKXABDBC-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62084706
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662663
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251111
(4-bromo-2-hydroxyphenyl)-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
CID 114509849
[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone
CID 66202336
(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62890375
(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506286
(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677503
(4-bromo-2-hydroxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427467

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone (CID 80662371) is (4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone is O=C(c1ccc(Br)cc1O)N1CCC(Br)CC1.
What is the InChIKey of (4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone?
The InChIKey is SHACXLQKXABDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO2/c13-8-3-5-15(6-4-8)12(17)10-2-1-9(14)7-11(10)16/h1-2,7-8,16H,3-6H2.
What are the key properties of (4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone?
(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone has a molecular weight of 363.05 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone is sourced from PubChem (CID 80662371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).