3-[3,5-bis(trifluoromethyl)phenyl]piperidine

C13H13F6N — CID 45073834

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1cc(C2CCCNC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F6N/c14-12(15,16)10-4-9(8-2-1-3-20-7-8)5-11(6-10)13(17,18)19/h4-6,8,20H,1-3,7H2
InChIKeyGSZOGLXISPWVQW-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.19
Rot. Bonds1

About 3-[3,5-bis(trifluoromethyl)phenyl]piperidine

3-[3,5-bis(trifluoromethyl)phenyl]piperidine (PubChem CID 45073834) has the molecular formula C13H13F6N and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]piperidine
PubChem CID45073834
Molecular FormulaC13H13F6N
Molecular Weight297.24 g/mol
Exact Mass297.10
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1cc(C2CCCNC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F6N/c14-12(15,16)10-4-9(8-2-1-3-20-7-8)5-11(6-10)13(17,18)19/h4-6,8,20H,1-3,7H2
InChIKeyGSZOGLXISPWVQW-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
3-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine
CID 71250619
3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
CID 116992772
3-(4-tert-butylphenyl)piperidine
CID 24904200
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole
CID 83849509
3-(3-chloro-5-fluorophenyl)piperidine
CID 24904336
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride
CID 163197147

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]piperidine (CID 45073834) is 3-[3,5-bis(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1cc(C2CCCNC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]piperidine?
The InChIKey is GSZOGLXISPWVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6N/c14-12(15,16)10-4-9(8-2-1-3-20-7-8)5-11(6-10)13(17,18)19/h4-6,8,20H,1-3,7H2.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]piperidine?
3-[3,5-bis(trifluoromethyl)phenyl]piperidine has a molecular weight of 297.24 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 45073834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).