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

C14H18F3N — CID 115058938

IUPAC2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCC1(Cc2cccc(C(F)(F)F)c2)CCCCN1
InChIInChI=1S/C14H18F3N/c1-13(7-2-3-8-18-13)10-11-5-4-6-12(9-11)14(15,16)17/h4-6,9,18H,2-3,7-8,10H2,1H3
InChIKeyKBKLPWPKIINVLW-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.78
Rot. Bonds2

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

2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 115058938) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID115058938
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCC1(Cc2cccc(C(F)(F)F)c2)CCCCN1
InChIInChI=1S/C14H18F3N/c1-13(7-2-3-8-18-13)10-11-5-4-6-12(9-11)14(15,16)17/h4-6,9,18H,2-3,7-8,10H2,1H3
InChIKeyKBKLPWPKIINVLW-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058979
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
CID 104688068
(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
CID 124570451
2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
CID 122156828
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
CID 82923443
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 124570457
(2S)-2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine
CID 124515557
(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
CID 124511306

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine (CID 115058938) is 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine is CC1(Cc2cccc(C(F)(F)F)c2)CCCCN1.
What is the InChIKey of 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is KBKLPWPKIINVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-13(7-2-3-8-18-13)10-11-5-4-6-12(9-11)14(15,16)17/h4-6,9,18H,2-3,7-8,10H2,1H3.
What are the key properties of 2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 257.30 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-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 115058938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).