3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid

C12H13F2NO2 — CID 115055627

IUPAC3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCCN(c2ccc(F)cc2)C1
InChIInChI=1S/C12H13F2NO2/c13-9-2-4-10(5-3-9)15-7-1-6-12(14,8-15)11(16)17/h2-5H,1,6-8H2,(H,16,17)
InChIKeyPXSJYPHQGFFSCX-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.22
Rot. Bonds2

About 3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid

3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid (PubChem CID 115055627) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid
PubChem CID115055627
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCCN(c2ccc(F)cc2)C1
InChIInChI=1S/C12H13F2NO2/c13-9-2-4-10(5-3-9)15-7-1-6-12(14,8-15)11(16)17/h2-5H,1,6-8H2,(H,16,17)
InChIKeyPXSJYPHQGFFSCX-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4-hydroxyazepane-4-carboxylic acid
CID 115055650
3-fluoro-1-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 115034865
3,3-difluoro-1-(4-fluorophenyl)pyrrolidine
CID 117007610
3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile
CID 117012892
3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 119259477
1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 63136252
1-(4-ethylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 117011718
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 59527745
ethane;1-(4-fluorophenyl)-1,4-diazepane
CID 168950071
[1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol
CID 140572184
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
3-fluoro-1-[(E)-4-(4-fluorophenyl)but-3-enoyl]pyrrolidine-3-carboxylic acid
CID 119258382

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid (CID 115055627) is 3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid is O=C(O)C1(F)CCCN(c2ccc(F)cc2)C1.
What is the InChIKey of 3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid?
The InChIKey is PXSJYPHQGFFSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-2-4-10(5-3-9)15-7-1-6-12(14,8-15)11(16)17/h2-5H,1,6-8H2,(H,16,17).
What are the key properties of 3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid?
3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 115055627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).