(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone

C12H13BrFNO — CID 106647090

IUPAC(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
SMILESO=C(c1cccc(Br)c1F)C1CCCNC1
InChIInChI=1S/C12H13BrFNO/c13-10-5-1-4-9(11(10)14)12(16)8-3-2-6-15-7-8/h1,4-5,8,15H,2-3,6-7H2
InChIKeyXGQSPIODPVIAIE-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.77
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone

(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone (PubChem CID 106647090) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
PubChem CID106647090
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
SMILESO=C(c1cccc(Br)c1F)C1CCCNC1
InChIInChI=1S/C12H13BrFNO/c13-10-5-1-4-9(11(10)14)12(16)8-3-2-6-15-7-8/h1,4-5,8,15H,2-3,6-7H2
InChIKeyXGQSPIODPVIAIE-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone
CID 115351659
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133
7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone
CID 106647448
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
(3-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 107957262
(2,5-dibromo-4-methylphenyl)-piperidin-3-ylmethanone
CID 81473911
3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 107956383
piperidin-3-yl(quinolin-5-yl)methanone
CID 116548060
(3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone
CID 106944034
(3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone
CID 138750762
1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone
CID 56755375

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone (CID 106647090) is (3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone is O=C(c1cccc(Br)c1F)C1CCCNC1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone?
The InChIKey is XGQSPIODPVIAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c13-10-5-1-4-9(11(10)14)12(16)8-3-2-6-15-7-8/h1,4-5,8,15H,2-3,6-7H2.
What are the key properties of (3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone?
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone has a molecular weight of 286.14 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone is sourced from PubChem (CID 106647090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).