4-phenylpiperidine;2,2,2-trifluoroacetic acid

C13H16F3NO2 — CID 11311890

IUPAC4-phenylpiperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C11H15N.C2HF3O2/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;3-2(4,5)1(6)7/h1-5,11-12H,6-9H2;(H,6,7)
InChIKeyWVQGMDHYSYNKRI-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.79
Rot. Bonds1

About 4-phenylpiperidine;2,2,2-trifluoroacetic acid

4-phenylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 11311890) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-phenylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-phenylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID11311890
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name4-phenylpiperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C11H15N.C2HF3O2/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;3-2(4,5)1(6)7/h1-5,11-12H,6-9H2;(H,6,7)
InChIKeyWVQGMDHYSYNKRI-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-phenylpiperidine;2,2,2-trifluoroacetic acid (CID 11311890) is 4-phenylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-phenylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-phenylpiperidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-phenylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is WVQGMDHYSYNKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2HF3O2/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;3-2(4,5)1(6)7/h1-5,11-12H,6-9H2;(H,6,7).
What are the key properties of 4-phenylpiperidine;2,2,2-trifluoroacetic acid?
4-phenylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 275.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11311890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).