1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid

C15H20F3NO2 — CID 71278451

IUPAC1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C13H19N.C2HF3O2/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-12H2;(H,6,7)
InChIKeyWAFFXTLTSYCVFB-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.35
Rot. Bonds3

About 1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid

1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid (PubChem CID 71278451) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid
PubChem CID71278451
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C13H19N.C2HF3O2/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-12H2;(H,6,7)
InChIKeyWAFFXTLTSYCVFB-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid (CID 71278451) is 1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(CCN2CCCCC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is WAFFXTLTSYCVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2HF3O2/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-12H2;(H,6,7).
What are the key properties of 1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid?
1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 303.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71278451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).