(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone

C12H14BrNO2 — CID 47080583

IUPAC(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Br)cc1O)N1CCCCC1
InChIInChI=1S/C12H14BrNO2/c13-9-4-5-10(11(15)8-9)12(16)14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7H2
InChIKeyXDGWHPSRXPHUML-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.78
Rot. Bonds1

About (4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone

(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone (PubChem CID 47080583) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is (4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
PubChem CID47080583
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Br)cc1O)N1CCCCC1
InChIInChI=1S/C12H14BrNO2/c13-9-4-5-10(11(15)8-9)12(16)14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7H2
InChIKeyXDGWHPSRXPHUML-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662371
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
(2-amino-4-bromophenyl)-(azepan-1-yl)methanone
CID 69071535
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62084706
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone
CID 66202336
(4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63616283
(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62890375

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone (CID 47080583) is (4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone is O=C(c1ccc(Br)cc1O)N1CCCCC1.
What is the InChIKey of (4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is XDGWHPSRXPHUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-9-4-5-10(11(15)8-9)12(16)14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7H2.
What are the key properties of (4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone?
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 284.15 g/mol, XLogP of 2.78, 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)-piperidin-1-ylmethanone is sourced from PubChem (CID 47080583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).