4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid

C12H13BrFNO2 — CID 150033708

IUPAC4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccc(Br)cc2F)CCNCC1
InChIInChI=1S/C12H13BrFNO2/c13-8-1-2-9(10(14)7-8)12(11(16)17)3-5-15-6-4-12/h1-2,7,15H,3-6H2,(H,16,17)
InChIKeyDHURDVQZGWAOKJ-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.29
Rot. Bonds2

About 4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid

4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid (PubChem CID 150033708) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid
PubChem CID150033708
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC Name4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccc(Br)cc2F)CCNCC1
InChIInChI=1S/C12H13BrFNO2/c13-8-1-2-9(10(14)7-8)12(11(16)17)3-5-15-6-4-12/h1-2,7,15H,3-6H2,(H,16,17)
InChIKeyDHURDVQZGWAOKJ-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromo-2-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 55178564
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 82803603
3-[[(3S)-3-(4-bromo-2-fluorophenyl)piperidin-3-yl]amino]-3-oxopropanoic acid
CID 69404108
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177
1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466689
1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117443504
1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide
CID 69259424
1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116573221
1-(2-amino-5-bromophenyl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 106702453
3-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132459

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid (CID 150033708) is 4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid is O=C(O)C1(c2ccc(Br)cc2F)CCNCC1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid?
The InChIKey is DHURDVQZGWAOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c13-8-1-2-9(10(14)7-8)12(11(16)17)3-5-15-6-4-12/h1-2,7,15H,3-6H2,(H,16,17).
What are the key properties of 4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid?
4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid has a molecular weight of 302.14 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 150033708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).