4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid

C12H13ClFNO2 — CID 82803603

IUPAC4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2F)CCNCC1
InChIInChI=1S/C12H13ClFNO2/c13-9-3-1-2-8(10(9)14)12(11(16)17)4-6-15-7-5-12/h1-3,15H,4-7H2,(H,16,17)
InChIKeyYYCLUGBTUUPGQI-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.18
Rot. Bonds2

About 4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid

4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid (PubChem CID 82803603) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
PubChem CID82803603
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2F)CCNCC1
InChIInChI=1S/C12H13ClFNO2/c13-9-3-1-2-8(10(9)14)12(11(16)17)4-6-15-7-5-12/h1-3,15H,4-7H2,(H,16,17)
InChIKeyYYCLUGBTUUPGQI-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid (CID 82803603) is 4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid is O=C(O)C1(c2cccc(Cl)c2F)CCNCC1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid?
The InChIKey is YYCLUGBTUUPGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-9-3-1-2-8(10(9)14)12(11(16)17)4-6-15-7-5-12/h1-3,15H,4-7H2,(H,16,17).
What are the key properties of 4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid?
4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid has a molecular weight of 257.69 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82803603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).