(2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C13H15BrFNO2 — CID 113257009

IUPAC(2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2c(F)cccc2Br)CC1
InChIInChI=1S/C13H15BrFNO2/c1-13(18)5-7-16(8-6-13)12(17)11-9(14)3-2-4-10(11)15/h2-4,18H,5-8H2,1H3
InChIKeyKLVVSCSXZTZDAK-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.58
Rot. Bonds1

About (2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 113257009) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID113257009
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name(2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2c(F)cccc2Br)CC1
InChIInChI=1S/C13H15BrFNO2/c1-13(18)5-7-16(8-6-13)12(17)11-9(14)3-2-4-10(11)15/h2-4,18H,5-8H2,1H3
InChIKeyKLVVSCSXZTZDAK-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707647
1-(2-bromo-6-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115910022
(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113250757
(2-bromo-6-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113251014
1-(2-bromo-6-fluorobenzoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 114558542
4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide
CID 115678904
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
(2-bromo-6-fluorophenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 114560996
2-[4-(2-bromo-6-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 114559212
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(2,6-difluorophenyl)methanone
CID 131703355
(2-bromo-6-fluorophenyl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124569718
(2-bromo-6-fluorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 113265714

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 113257009) is (2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2c(F)cccc2Br)CC1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is KLVVSCSXZTZDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-13(18)5-7-16(8-6-13)12(17)11-9(14)3-2-4-10(11)15/h2-4,18H,5-8H2,1H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 316.17 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 113257009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).