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

C13H16F3N — CID 63156452

IUPAC4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
SMILESCC1(c2cccc(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C13H16F3N/c1-12(5-7-17-8-6-12)10-3-2-4-11(9-10)13(14,15)16/h2-4,9,17H,5-8H2,1H3
InChIKeySBSHDLHPRIERFE-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.35
Rot. Bonds1

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

4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine (PubChem CID 63156452) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
PubChem CID63156452
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
SMILESCC1(c2cccc(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C13H16F3N/c1-12(5-7-17-8-6-12)10-3-2-4-11(9-10)13(14,15)16/h2-4,9,17H,5-8H2,1H3
InChIKeySBSHDLHPRIERFE-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 124566972
4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol
CID 123599600
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 80705627
ethane;4-methyl-4-phenylpiperidine
CID 91476557
1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol
CID 162620604
2-chloro-1-[4-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 174485792
4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 64666853
2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 117272242
2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine
CID 115059013
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
(2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 98042591
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine (CID 63156452) is 4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine is CC1(c2cccc(C(F)(F)F)c2)CCNCC1.
What is the InChIKey of 4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine?
The InChIKey is SBSHDLHPRIERFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-12(5-7-17-8-6-12)10-3-2-4-11(9-10)13(14,15)16/h2-4,9,17H,5-8H2,1H3.
What are the key properties of 4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine?
4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine has a molecular weight of 243.27 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 63156452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).