1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid

C14H18FNO2 — CID 83855395

IUPAC1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(F)c2ccccc2)CC1
InChIInChI=1S/C14H18FNO2/c15-13(11-4-2-1-3-5-11)10-16-8-6-12(7-9-16)14(17)18/h1-5,12-13H,6-10H2,(H,17,18)
InChIKeyLCGBKQRMVTYZON-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.49
Rot. Bonds4

About 1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid

1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid (PubChem CID 83855395) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid
PubChem CID83855395
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(F)c2ccccc2)CC1
InChIInChI=1S/C14H18FNO2/c15-13(11-4-2-1-3-5-11)10-16-8-6-12(7-9-16)14(17)18/h1-5,12-13H,6-10H2,(H,17,18)
InChIKeyLCGBKQRMVTYZON-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid (CID 83855395) is 1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(CC(F)c2ccccc2)CC1.
What is the InChIKey of 1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid?
The InChIKey is LCGBKQRMVTYZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13(11-4-2-1-3-5-11)10-16-8-6-12(7-9-16)14(17)18/h1-5,12-13H,6-10H2,(H,17,18).
What are the key properties of 1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid?
1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-phenylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 83855395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).