1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine

C15H21F3N2 — CID 43665342

IUPAC1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-10-9-20(3)11(2)8-14(10)19-13-7-5-4-6-12(13)15(16,17)18/h4-7,10-11,14,19H,8-9H2,1-3H3
InChIKeyVNJIOUOBLOPSSH-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.85
Rot. Bonds2

About 1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine

1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 43665342) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID43665342
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-10-9-20(3)11(2)8-14(10)19-13-7-5-4-6-12(13)15(16,17)18/h4-7,10-11,14,19H,8-9H2,1-3H3
InChIKeyVNJIOUOBLOPSSH-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 114504908
N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 113354253
1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine
CID 43718239
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
CID 63536597
N-(4-tert-butylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665344
N-(3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665401
N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
CID 64501837
(2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 93258463
N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 65435866
N-(3-chloro-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)aniline
CID 114632051
1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine
CID 82712437
2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60897087

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine (CID 43665342) is 1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine is CC1CN(C)C(C)CC1Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is VNJIOUOBLOPSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-10-9-20(3)11(2)8-14(10)19-13-7-5-4-6-12(13)15(16,17)18/h4-7,10-11,14,19H,8-9H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 43665342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).