2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine

C15H20F3N — CID 106777874

IUPAC2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine
SMILESCc1cc(C)cc(CC2CCC(C(F)(F)F)CN2)c1
InChIInChI=1S/C15H20F3N/c1-10-5-11(2)7-12(6-10)8-14-4-3-13(9-19-14)15(16,17)18/h5-7,13-14,19H,3-4,8-9H2,1-2H3
InChIKeyQVEYBOWUVLQZGC-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.78
Rot. Bonds2

About 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine

2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine (PubChem CID 106777874) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine
PubChem CID106777874
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine
SMILESCc1cc(C)cc(CC2CCC(C(F)(F)F)CN2)c1
InChIInChI=1S/C15H20F3N/c1-10-5-11(2)7-12(6-10)8-14-4-3-13(9-19-14)15(16,17)18/h5-7,13-14,19H,3-4,8-9H2,1-2H3
InChIKeyQVEYBOWUVLQZGC-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine
CID 106778535
6-methyl-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide
CID 134333081
2-(2-cyclopropylethyl)-5-(trifluoromethyl)piperidine
CID 106779869
2-[(3-bromo-5-methylphenyl)methyl]azetidine
CID 84701852
2-[(3-chloro-5-methylphenyl)methyl]piperidine
CID 84688929
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908570
2-[(3,4-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine
CID 106778077
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908798
6-[[(3R)-2-oxopyrrolidin-3-yl]methyl]-2-[4-[[5-(trifluoromethyl)piperidin-2-yl]methyl]phenyl]pyrimidine-4-carboxamide
CID 159091024
1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758388

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine (CID 106777874) is 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine is Cc1cc(C)cc(CC2CCC(C(F)(F)F)CN2)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine?
The InChIKey is QVEYBOWUVLQZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10-5-11(2)7-12(6-10)8-14-4-3-13(9-19-14)15(16,17)18/h5-7,13-14,19H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine?
2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine has a molecular weight of 271.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 106777874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).