1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine

C16H23F3N2 — CID 58366347

IUPAC1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCc1cc(N2CCC(N(C)C)CC2)c(C)c(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2/c1-11-9-14(16(17,18)19)12(2)15(10-11)21-7-5-13(6-8-21)20(3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyKNFVUMKWNKOIRS-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.85
Rot. Bonds2

About 1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine

1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 58366347) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
PubChem CID58366347
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCc1cc(N2CCC(N(C)C)CC2)c(C)c(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2/c1-11-9-14(16(17,18)19)12(2)15(10-11)21-7-5-13(6-8-21)20(3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyKNFVUMKWNKOIRS-UHFFFAOYSA-N
XLogP3.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine 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

Cambridge id 5427910
CID 783207
1-(2,3-Dimethylphenyl)-4-(2-methyl-2-buten-1-yl)piperazine
CID 783329
1-(3,5-Bis(trifluoromethyl)phenyl)-3-butylpiperidin-4-amine
CID 11538686
1-(Biphenyl-2-ylmethyl)-4-(2,5-dimethylphenyl)piperazine
CID 71602643
1-(2-Methylbiphenyl-3-yl)-4-(pyrrolidin-1-yl)piperidine
CID 132166371
Cambridge id 5411496
CID 782012
Cambridge id 5419688
CID 782319
1-(2,3-Dimethylphenyl)-4-(4-fluorobenzyl)piperazine
CID 785779
1-(2,3-Dimethylphenyl)-4-(2-fluorobenzyl)piperazine
CID 785837
1-(2,3-Dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine
CID 792667
N-[(2,3,4,5,6-pentamethylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline
CID 2803783
1-[3-(2,6-Dimethylphenyl)phenyl]-4-methylpiperazine
CID 46232082

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine (CID 58366347) is 1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine is Cc1cc(N2CCC(N(C)C)CC2)c(C)c(C(F)(F)F)c1.
What is the InChIKey of 1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is KNFVUMKWNKOIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-11-9-14(16(17,18)19)12(2)15(10-11)21-7-5-13(6-8-21)20(3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 58366347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).