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

C12H14FNO2 — CID 18945092

IUPAC4-(2-fluorophenyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2F)CCNCC1
InChIInChI=1S/C12H14FNO2/c13-10-4-2-1-3-9(10)12(11(15)16)5-7-14-8-6-12/h1-4,14H,5-8H2,(H,15,16)
InChIKeyJDHPMZORPOCCEF-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.53
Rot. Bonds2

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

4-(2-fluorophenyl)piperidine-4-carboxylic acid (PubChem CID 18945092) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-(2-fluorophenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)piperidine-4-carboxylic acid
PubChem CID18945092
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name4-(2-fluorophenyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2F)CCNCC1
InChIInChI=1S/C12H14FNO2/c13-10-4-2-1-3-9(10)12(11(15)16)5-7-14-8-6-12/h1-4,14H,5-8H2,(H,15,16)
InChIKeyJDHPMZORPOCCEF-UHFFFAOYSA-N
XLogP1.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)piperidine-4-carboxylic acid (CID 18945092) is 4-(2-fluorophenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)piperidine-4-carboxylic acid is O=C(O)C1(c2ccccc2F)CCNCC1.
What is the InChIKey of 4-(2-fluorophenyl)piperidine-4-carboxylic acid?
The InChIKey is JDHPMZORPOCCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-4-2-1-3-9(10)12(11(15)16)5-7-14-8-6-12/h1-4,14H,5-8H2,(H,15,16).
What are the key properties of 4-(2-fluorophenyl)piperidine-4-carboxylic acid?
4-(2-fluorophenyl)piperidine-4-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 18945092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).