1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C14H13BrF3NO2 — CID 11824636

IUPAC1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(Br)cc1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H13BrF3NO2/c15-11-3-1-9(2-4-11)12(20)10-5-7-19(8-6-10)13(21)14(16,17)18/h1-4,10H,5-8H2
InChIKeyKVOSCEKBAMQYAE-UHFFFAOYSA-N
MW364.16 g/mol
LogP3.43
Rot. Bonds2

About 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 11824636) has the molecular formula C14H13BrF3NO2 and a molecular weight of 364.16 g/mol. Its IUPAC name is 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID11824636
Molecular FormulaC14H13BrF3NO2
Molecular Weight364.16 g/mol
Exact Mass363.01
IUPAC Name1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(Br)cc1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H13BrF3NO2/c15-11-3-1-9(2-4-11)12(20)10-5-7-19(8-6-10)13(21)14(16,17)18/h1-4,10H,5-8H2
InChIKeyKVOSCEKBAMQYAE-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.16
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2978552
1-Propanone, 1-(4-bromophenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
CID 120529
1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine
CID 2740707
1-[4-(4-Bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide
CID 2106797
[1-[(4-Bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 162659118
2,2,2-Trifluoro-1-(4-benzoylpiperidin-1-YL)ethanone
CID 2740742
2-(4-Acetyl-1-piperazinyl)-1-(4-bromophenyl)ethanone hydrochloride
CID 2909182
(1-(4-Bromobenzoyl)piperidin-4-yl)(4-fluorophenyl)methanone
CID 46906252
(1-(3-Bromobenzoyl)piperidin-4-yl)(4-fluorophenyl)methanone
CID 46906379
1-(4-Benzylpiperidin-1-yl)-2-(2-bromophenyl)ethane-1,2-dione
CID 53383789
1-(4-Benzylpiperidin-1-yl)-2-(3-bromophenyl)ethane-1,2-dione
CID 53383753
1-(4-Bromophenyl)-2-(piperidin-1-YL)ethane-1,2-dione
CID 71497946

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 11824636) is 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone is O=C(c1ccc(Br)cc1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is KVOSCEKBAMQYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NO2/c15-11-3-1-9(2-4-11)12(20)10-5-7-19(8-6-10)13(21)14(16,17)18/h1-4,10H,5-8H2.
What are the key properties of 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 364.16 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 11824636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).