(4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone

C14H17BrFNO2 — CID 164882888

IUPAC(4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone
SMILESCCOc1cc(Br)c(F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C14H17BrFNO2/c1-2-19-13-9-11(15)12(16)8-10(13)14(18)17-6-4-3-5-7-17/h8-9H,2-7H2,1H3
InChIKeyGTRLFSPFNPKCEU-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.61
Rot. Bonds3

About (4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone

(4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone (PubChem CID 164882888) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is (4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone
PubChem CID164882888
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name(4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone
SMILESCCOc1cc(Br)c(F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C14H17BrFNO2/c1-2-19-13-9-11(15)12(16)8-10(13)14(18)17-6-4-3-5-7-17/h8-9H,2-7H2,1H3
InChIKeyGTRLFSPFNPKCEU-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-ethoxy-5-fluorobenzoic acid
CID 130090927
(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
CID 110761639
(2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 172913969
(2-bromo-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 172646588
(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 146171182
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
6-bromo-8-ethoxy-3-(piperidine-1-carbonyl)chromen-2-one
CID 72715692
(5-fluoro-2-methoxy-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 164882856
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
[3-bromo-5-ethoxy-4-(3-methylbutoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 9268397

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone (CID 164882888) is (4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone is CCOc1cc(Br)c(F)cc1C(=O)N1CCCCC1.
What is the InChIKey of (4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone?
The InChIKey is GTRLFSPFNPKCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-2-19-13-9-11(15)12(16)8-10(13)14(18)17-6-4-3-5-7-17/h8-9H,2-7H2,1H3.
What are the key properties of (4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone?
(4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone has a molecular weight of 330.20 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-ethoxy-5-fluorophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 164882888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).