(3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone

C12H13BrFNO — CID 103863159

IUPAC(3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone
SMILESO=C(c1cccc(Br)c1F)C1CCNCC1
InChIInChI=1S/C12H13BrFNO/c13-10-3-1-2-9(11(10)14)12(16)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2
InChIKeyHWVCSVACOSKYNL-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.77
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone

(3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone (PubChem CID 103863159) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone
PubChem CID103863159
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name(3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone
SMILESO=C(c1cccc(Br)c1F)C1CCNCC1
InChIInChI=1S/C12H13BrFNO/c13-10-3-1-2-9(11(10)14)12(16)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2
InChIKeyHWVCSVACOSKYNL-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-(4-Fluorobenzoyl)piperidine
CID 2724440
Phenyl(piperidin-4-yl)methanone
CID 226102
3-Bromomethcathinone
CID 10354356
2-(N-tert-Butylamino)-3'-bromopropiophenone
CID 3031062
p-Fluorophenyl 4-piperidyl ketone hydrochloride
CID 3084438
4-Benzoylpiperidine hydrochloride
CID 2724437
1-Butanone, 1-(4-fluorophenyl)-4-(1-piperidinyl)-, hydrochloride (1:1)
CID 14640
(2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride
CID 18759874
3-Bromomethcathinone hydrochloride
CID 85957490
3-(4-Fluorobenzoyl)piperidine hydrochloride
CID 19771989
4-(2,5-Difluorobenzoyl)piperidine hydrochloride
CID 42943778
Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)
CID 46738056

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone (CID 103863159) is (3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone is O=C(c1cccc(Br)c1F)C1CCNCC1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone?
The InChIKey is HWVCSVACOSKYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c13-10-3-1-2-9(11(10)14)12(16)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2.
What are the key properties of (3-bromo-2-fluorophenyl)-piperidin-4-ylmethanone?
(3-bromo-2-fluorophenyl)-piperidin-4-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-4-ylmethanone is sourced from PubChem (CID 103863159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).