4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene

C14H20F3N — CID 174852031

IUPAC4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene
SMILESCC1CCNCC1.Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3.C6H13N/c1-6-3-2-4-7(5-6)8(9,10)11;1-6-2-4-7-5-3-6/h2-5H,1H3;6-7H,2-5H2,1H3
InChIKeyJOGSHUQOZNGPPS-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.02
Rot. Bonds

About 4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene

4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene (PubChem CID 174852031) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene
PubChem CID174852031
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene
SMILESCC1CCNCC1.Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3.C6H13N/c1-6-3-2-4-7(5-6)8(9,10)11;1-6-2-4-7-5-3-6/h2-5H,1H3;6-7H,2-5H2,1H3
InChIKeyJOGSHUQOZNGPPS-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
CID 84724888
piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11392289
2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
CID 84722501
1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
CID 143126796
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
CID 161222024
methylcyclopentane;1,3-xylene
CID 142361462
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 135384501
ethane;methylcyclopropane;1,3-xylene
CID 142338532
(3S,4S)-4-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69230877
1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene
CID 70967348

Frequently Asked Questions

What is the IUPAC name of 4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene (CID 174852031) is 4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene is CC1CCNCC1.Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene?
The InChIKey is JOGSHUQOZNGPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3.C6H13N/c1-6-3-2-4-7(5-6)8(9,10)11;1-6-2-4-7-5-3-6/h2-5H,1H3;6-7H,2-5H2,1H3.
What are the key properties of 4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene?
4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene has a molecular weight of 259.31 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 174852031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).