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

C16H22F3N — CID 117271747

IUPAC2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESCCC1(CCc2ccc(C(F)(F)F)cc2)CCCCN1
InChIInChI=1S/C16H22F3N/c1-2-15(10-3-4-12-20-15)11-9-13-5-7-14(8-6-13)16(17,18)19/h5-8,20H,2-4,9-12H2,1H3
InChIKeyBKCYNDPXLYVNEJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.56
Rot. Bonds4

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

2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine (PubChem CID 117271747) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
PubChem CID117271747
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESCCC1(CCc2ccc(C(F)(F)F)cc2)CCCCN1
InChIInChI=1S/C16H22F3N/c1-2-15(10-3-4-12-20-15)11-9-13-5-7-14(8-6-13)16(17,18)19/h5-8,20H,2-4,9-12H2,1H3
InChIKeyBKCYNDPXLYVNEJ-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
The IUPAC name of 2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine (CID 117271747) is 2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine.
What is the SMILES notation for 2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
The canonical SMILES for 2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine is CCC1(CCc2ccc(C(F)(F)F)cc2)CCCCN1.
What is the InChIKey of 2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
The InChIKey is BKCYNDPXLYVNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-15(10-3-4-12-20-15)11-9-13-5-7-14(8-6-13)16(17,18)19/h5-8,20H,2-4,9-12H2,1H3.
What are the key properties of 2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine?
2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine has a molecular weight of 285.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine is sourced from PubChem (CID 117271747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).