1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid

C15H19F2NO2 — CID 83855355

IUPAC1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(F)(F)Cc2ccccc2)CC1
InChIInChI=1S/C15H19F2NO2/c16-15(17,10-12-4-2-1-3-5-12)11-18-8-6-13(7-9-18)14(19)20/h1-5,13H,6-11H2,(H,19,20)
InChIKeyKBBRKYWUDZVASI-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.66
Rot. Bonds5

About 1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid

1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid (PubChem CID 83855355) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid
PubChem CID83855355
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(F)(F)Cc2ccccc2)CC1
InChIInChI=1S/C15H19F2NO2/c16-15(17,10-12-4-2-1-3-5-12)11-18-8-6-13(7-9-18)14(19)20/h1-5,13H,6-11H2,(H,19,20)
InChIKeyKBBRKYWUDZVASI-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid (CID 83855355) is 1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(CC(F)(F)Cc2ccccc2)CC1.
What is the InChIKey of 1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid?
The InChIKey is KBBRKYWUDZVASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-15(17,10-12-4-2-1-3-5-12)11-18-8-6-13(7-9-18)14(19)20/h1-5,13H,6-11H2,(H,19,20).
What are the key properties of 1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid?
1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid has a molecular weight of 283.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-phenylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 83855355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).