4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine

C20H22F3N — CID 141379171

IUPAC4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESFC(F)(F)c1ccccc1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H22F3N/c21-20(22,23)19-9-5-4-8-18(19)12-15-24-13-10-17(11-14-24)16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyIWBONQPRUQIQDQ-UHFFFAOYSA-N
MW333.40 g/mol
LogP5.13
Rot. Bonds4

About 4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine

4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine (PubChem CID 141379171) has the molecular formula C20H22F3N and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
PubChem CID141379171
Molecular FormulaC20H22F3N
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESFC(F)(F)c1ccccc1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H22F3N/c21-20(22,23)19-9-5-4-8-18(19)12-15-24-13-10-17(11-14-24)16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyIWBONQPRUQIQDQ-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine?
The IUPAC name of 4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine (CID 141379171) is 4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine.
What is the SMILES notation for 4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine?
The canonical SMILES for 4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine is FC(F)(F)c1ccccc1CCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine?
The InChIKey is IWBONQPRUQIQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N/c21-20(22,23)19-9-5-4-8-18(19)12-15-24-13-10-17(11-14-24)16-6-2-1-3-7-16/h1-9,17H,10-15H2.
What are the key properties of 4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine?
4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine has a molecular weight of 333.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine is sourced from PubChem (CID 141379171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).