(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone

C14H17BrFNO2 — CID 115276511

IUPAC(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)ccc2F)CCC1O
InChIInChI=1S/C14H17BrFNO2/c1-14(2)8-17(6-5-12(14)18)13(19)10-7-9(15)3-4-11(10)16/h3-4,7,12,18H,5-6,8H2,1-2H3
InChIKeyJSGSJLFTEAJPQW-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.82
Rot. Bonds1

About (5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone

(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 115276511) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
PubChem CID115276511
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)ccc2F)CCC1O
InChIInChI=1S/C14H17BrFNO2/c1-14(2)8-17(6-5-12(14)18)13(19)10-7-9(15)3-4-11(10)16/h3-4,7,12,18H,5-6,8H2,1-2H3
InChIKeyJSGSJLFTEAJPQW-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678705
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 113241723
(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743982
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357
1-(5-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63006897
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-bromo-2-fluorophenyl)methanone
CID 9295328
(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276502

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone (CID 115276511) is (5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone is CC1(C)CN(C(=O)c2cc(Br)ccc2F)CCC1O.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is JSGSJLFTEAJPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-14(2)8-17(6-5-12(14)18)13(19)10-7-9(15)3-4-11(10)16/h3-4,7,12,18H,5-6,8H2,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 330.20 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 115276511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).