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

C15H20F3N — CID 3053803

IUPAC1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
SMILESCCCN1CCCC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N/c1-2-8-19-9-4-6-13(11-19)12-5-3-7-14(10-12)15(16,17)18/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3
InChIKeyGBOLYPGBMMGDGB-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.29
Rot. Bonds3

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

1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine (PubChem CID 3053803) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
PubChem CID3053803
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
SMILESCCCN1CCCC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N/c1-2-8-19-9-4-6-13(11-19)12-5-3-7-14(10-12)15(16,17)18/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3
InChIKeyGBOLYPGBMMGDGB-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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Related Compounds

3-(1-butylpiperidin-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 123929588
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 3049036
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
3-phenyl-1-propylpiperidine
CID 12937946
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
3-(3-methylsulfonylphenyl)-1-propylpiperidine
CID 22283003
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
ethyl (3S)-4,4,4-trifluoro-3-[[(3R)-3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]butanoate
CID 124674520
(3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine
CID 11778702
(3R)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]piperidine
CID 25174512
[3-(1-propylpiperidin-3-yl)phenyl] 2,2-dimethylpropanoate
CID 23045628
[3-[(3S)-1-propylpiperidin-3-yl]phenyl] 2,2-dimethylpropanoate
CID 70348607

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine (CID 3053803) is 1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine is CCCN1CCCC(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine?
The InChIKey is GBOLYPGBMMGDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-8-19-9-4-6-13(11-19)12-5-3-7-14(10-12)15(16,17)18/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3.
What are the key properties of 1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine?
1-propyl-3-[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-3-[3-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 3053803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).