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

C13H15BrFNO2 — CID 114678705

IUPAC(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)ccc2F)CCC1O
InChIInChI=1S/C13H15BrFNO2/c1-8-7-16(5-4-12(8)17)13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12,17H,4-5,7H2,1H3
InChIKeyVLHBLMFGUXBIBU-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.43
Rot. Bonds1

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

(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114678705) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114678705
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)ccc2F)CCC1O
InChIInChI=1S/C13H15BrFNO2/c1-8-7-16(5-4-12(8)17)13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12,17H,4-5,7H2,1H3
InChIKeyVLHBLMFGUXBIBU-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679899
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
(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)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276511
(4-amino-3-methylpiperidin-1-yl)-(4-bromo-2-fluorophenyl)methanone
CID 79879444
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357
(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871730
1-(5-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 24710129
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119464932

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114678705) is (5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)c2cc(Br)ccc2F)CCC1O.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is VLHBLMFGUXBIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-8-7-16(5-4-12(8)17)13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12,17H,4-5,7H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 316.17 g/mol, XLogP of 2.43, 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-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114678705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).