(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone

C13H16BrFN2O — CID 119561523

IUPAC(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C13H16BrFN2O/c1-16-10-4-6-17(7-5-10)13(18)11-8-9(14)2-3-12(11)15/h2-3,8,10,16H,4-7H2,1H3
InChIKeyBJKAULYZONGMCH-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.41
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone

(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119561523) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119561523
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C13H16BrFN2O/c1-16-10-4-6-17(7-5-10)13(18)11-8-9(14)2-3-12(11)15/h2-3,8,10,16H,4-7H2,1H3
InChIKeyBJKAULYZONGMCH-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 113241723
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678705
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 51299634
(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276511
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
1-(5-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63006897
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-bromo-2-fluorophenyl)methanone
CID 9295328
2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870882

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119561523) is (5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cc(Br)ccc2F)CC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is BJKAULYZONGMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-16-10-4-6-17(7-5-10)13(18)11-8-9(14)2-3-12(11)15/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 315.19 g/mol, XLogP of 2.41, 2 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-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119561523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).