(4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone

C18H17BrFNO2 — CID 166637707

IUPAC(4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1c(F)cc(Br)cc1Oc1ccccc1)N1CCCCC1
InChIInChI=1S/C18H17BrFNO2/c19-13-11-15(20)17(18(22)21-9-5-2-6-10-21)16(12-13)23-14-7-3-1-4-8-14/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyODRSNQNCZOISKE-UHFFFAOYSA-N
MW378.24 g/mol
LogP5.01
Rot. Bonds3

About (4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone

(4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 166637707) has the molecular formula C18H17BrFNO2 and a molecular weight of 378.24 g/mol. Its IUPAC name is (4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone
PubChem CID166637707
Molecular FormulaC18H17BrFNO2
Molecular Weight378.24 g/mol
Exact Mass377.04
IUPAC Name(4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1c(F)cc(Br)cc1Oc1ccccc1)N1CCCCC1
InChIInChI=1S/C18H17BrFNO2/c19-13-11-15(20)17(18(22)21-9-5-2-6-10-21)16(12-13)23-14-7-3-1-4-8-14/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyODRSNQNCZOISKE-UHFFFAOYSA-N
XLogP5.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.24
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
5-bromo-3-phenoxybenzene-1,2-diol
CID 122706591
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 70858755
azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone
CID 109241297
(3-bromo-2-chloro-6-fluorophenyl)-piperidin-1-ylmethanone
CID 164894050
azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468
(6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 171369301
1-(azepan-1-yl)-2-(5-bromo-2,3-difluorophenoxy)propan-1-one
CID 107098795
(4-bromo-2-fluorophenyl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850149
4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 134012574

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone (CID 166637707) is (4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone is O=C(c1c(F)cc(Br)cc1Oc1ccccc1)N1CCCCC1.
What is the InChIKey of (4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is ODRSNQNCZOISKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO2/c19-13-11-15(20)17(18(22)21-9-5-2-6-10-21)16(12-13)23-14-7-3-1-4-8-14/h1,3-4,7-8,11-12H,2,5-6,9-10H2.
What are the key properties of (4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone?
(4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 378.24 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluoro-6-phenoxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 166637707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).