1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid

C15H19BrFNO2 — CID 82973699

IUPAC1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC(c1ccc(Br)cc1F)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H19BrFNO2/c1-10(12-5-4-11(16)8-13(12)17)18-7-3-6-15(2,9-18)14(19)20/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyDIWAASYGPSSZGE-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.84
Rot. Bonds3

About 1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid

1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 82973699) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is 1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID82973699
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC(c1ccc(Br)cc1F)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H19BrFNO2/c1-10(12-5-4-11(16)8-13(12)17)18-7-3-6-15(2,9-18)14(19)20/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyDIWAASYGPSSZGE-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid 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

1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068532
1-[1-(2,4-dihydroxyphenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068577
3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 65068572
1-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064070
1-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 82778233
1-[1-(4-bromo-2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
CID 82973600
1-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 82974099
2-(azepan-1-yl)-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54914947
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064171
1-[1-(3-fluoro-4-methylsulfanylphenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046198
1-[1-(1-benzofuran-2-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068817

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid (CID 82973699) is 1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid is CC(c1ccc(Br)cc1F)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is DIWAASYGPSSZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-10(12-5-4-11(16)8-13(12)17)18-7-3-6-15(2,9-18)14(19)20/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid?
1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 344.22 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 82973699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).