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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Related Compounds

N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine
CID 68523663
1-chloro-3-[2-(trifluoromethyl)phenyl]cycloheptane
CID 64507732
1-[3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 146145502
2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid
CID 121438093
1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 118271900
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110860768
(3aS,6aR)-2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
CID 144718927
4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene
CID 158368291
(5-methyl-4,6,7,8-tetrahydro-1H-pyrrolo[3,4-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 167707012
3-cyclopropyl-4-methyl-5-[[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 97009635
(2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol
CID 166386622

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).