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

C15H20F3N — CID 22397830

IUPAC1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine
SMILESCCCN1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F3N/c1-2-8-19-9-6-12(7-10-19)13-4-3-5-14(11-13)15(16,17)18/h3-5,11-12H,2,6-10H2,1H3
InChIKeyWTJJXQCQGLLXNZ-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.29
Rot. Bonds3

About 1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine

1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine (PubChem CID 22397830) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine
PubChem CID22397830
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine
SMILESCCCN1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F3N/c1-2-8-19-9-6-12(7-10-19)13-4-3-5-14(11-13)15(16,17)18/h3-5,11-12H,2,6-10H2,1H3
InChIKeyWTJJXQCQGLLXNZ-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine (CID 22397830) is 1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine is CCCN1CCC(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine?
The InChIKey is WTJJXQCQGLLXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-8-19-9-6-12(7-10-19)13-4-3-5-14(11-13)15(16,17)18/h3-5,11-12H,2,6-10H2,1H3.
What are the key properties of 1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine?
1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine has a molecular weight of 271.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[3-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 22397830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).