1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid

C14H17F2NO2 — CID 83855396

IUPAC1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C14H17F2NO2/c15-14(16,12-4-2-1-3-5-12)10-17-8-6-11(7-9-17)13(18)19/h1-5,11H,6-10H2,(H,18,19)
InChIKeyKVJVQYFQIVUDGQ-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.58
Rot. Bonds4

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

1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid (PubChem CID 83855396) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid
PubChem CID83855396
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C14H17F2NO2/c15-14(16,12-4-2-1-3-5-12)10-17-8-6-11(7-9-17)13(18)19/h1-5,11H,6-10H2,(H,18,19)
InChIKeyKVJVQYFQIVUDGQ-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.58
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-2-phenylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid (CID 83855396) is 1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(CC(F)(F)c2ccccc2)CC1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid?
The InChIKey is KVJVQYFQIVUDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-14(16,12-4-2-1-3-5-12)10-17-8-6-11(7-9-17)13(18)19/h1-5,11H,6-10H2,(H,18,19).
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid?
1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid has a molecular weight of 269.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 83855396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).