3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine

C15H20F3N — CID 79320434

IUPAC3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESCCCC1CNCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-2-3-12-10-19-9-8-14(12)11-4-6-13(7-5-11)15(16,17)18/h4-7,12,14,19H,2-3,8-10H2,1H3
InChIKeyLSJVVALIWXBJRV-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.20
Rot. Bonds3

About 3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine

3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 79320434) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID79320434
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESCCCC1CNCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-2-3-12-10-19-9-8-14(12)11-4-6-13(7-5-11)15(16,17)18/h4-7,12,14,19H,2-3,8-10H2,1H3
InChIKeyLSJVVALIWXBJRV-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine (CID 79320434) is 3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine is CCCC1CNCCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is LSJVVALIWXBJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-3-12-10-19-9-8-14(12)11-4-6-13(7-5-11)15(16,17)18/h4-7,12,14,19H,2-3,8-10H2,1H3.
What are the key properties of 3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine?
3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 271.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 79320434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).