(4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone

C14H19BrN2O2 — CID 63616283

IUPAC(4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ccc(Br)cc2O)C1
InChIInChI=1S/C14H19BrN2O2/c1-16(2)11-4-3-7-17(9-11)14(19)12-6-5-10(15)8-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3
InChIKeyCUNKEXVERFNIPZ-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.32
Rot. Bonds2

About (4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone

(4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 63616283) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID63616283
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ccc(Br)cc2O)C1
InChIInChI=1S/C14H19BrN2O2/c1-16(2)11-4-3-7-17(9-11)14(19)12-6-5-10(15)8-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3
InChIKeyCUNKEXVERFNIPZ-UHFFFAOYSA-N
XLogP2.32
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 63091098
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090575
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
(2-bromo-5-iodophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103997408
(2-bromo-5-sulfanylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 107031635
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
(4-chloro-2-hydroxyphenyl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 56890134
(4-bromo-2-hydroxyphenyl)-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
CID 114509849

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone (CID 63616283) is (4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)c2ccc(Br)cc2O)C1.
What is the InChIKey of (4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is CUNKEXVERFNIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-16(2)11-4-3-7-17(9-11)14(19)12-6-5-10(15)8-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3.
What are the key properties of (4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
(4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 327.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 63616283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).