1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine

C13H16F3N — CID 59253116

IUPAC1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine
SMILESCN1CCCC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H16F3N/c1-17-8-4-5-10(9-17)11-6-2-3-7-12(11)13(14,15)16/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyMYYJSNREERNVMQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.51
Rot. Bonds1

About 1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine

1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine (PubChem CID 59253116) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine
PubChem CID59253116
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine
SMILESCN1CCCC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H16F3N/c1-17-8-4-5-10(9-17)11-6-2-3-7-12(11)13(14,15)16/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyMYYJSNREERNVMQ-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine (CID 59253116) is 1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine is CN1CCCC(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine?
The InChIKey is MYYJSNREERNVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-17-8-4-5-10(9-17)11-6-2-3-7-12(11)13(14,15)16/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine?
1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine has a molecular weight of 243.27 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 59253116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).