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

C14H19F3N2 — CID 114504908

IUPAC1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCC1CN(C)CCC1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2/c1-10-9-19(2)8-7-12(10)18-13-6-4-3-5-11(13)14(15,16)17/h3-6,10,12,18H,7-9H2,1-2H3
InChIKeyGSTJRMVIAGJQDJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.46
Rot. Bonds2

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

1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 114504908) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID114504908
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCC1CN(C)CCC1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2/c1-10-9-19(2)8-7-12(10)18-13-6-4-3-5-11(13)14(15,16)17/h3-6,10,12,18H,7-9H2,1-2H3
InChIKeyGSTJRMVIAGJQDJ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 115770250
1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 43665342
(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
CID 15541148
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
CID 63536597
(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 170208323
3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 114506019
2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110860768
8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine
CID 114502970
tert-butyl 3-[2-(trifluoromethyl)anilino]pyrrolidine-1-carboxylate
CID 103820804
N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
CID 64501837
2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60897087
1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 174580283

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine (CID 114504908) is 1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine is CC1CN(C)CCC1Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is GSTJRMVIAGJQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10-9-19(2)8-7-12(10)18-13-6-4-3-5-11(13)14(15,16)17/h3-6,10,12,18H,7-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 114504908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).