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

C15H21F3N2 — CID 79406259

IUPAC2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCc1ccc(N2CCC(N)C(C)C2C)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-9-4-5-12(8-13(9)15(16,17)18)20-7-6-14(19)10(2)11(20)3/h4-5,8,10-11,14H,6-7,19H2,1-3H3
InChIKeyFCHRINDUFXDSHX-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.58
Rot. Bonds1

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

2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 79406259) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID79406259
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCc1ccc(N2CCC(N)C(C)C2C)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-9-4-5-12(8-13(9)15(16,17)18)20-7-6-14(19)10(2)11(20)3/h4-5,8,10-11,14H,6-7,19H2,1-3H3
InChIKeyFCHRINDUFXDSHX-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine (CID 79406259) is 2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine is Cc1ccc(N2CCC(N)C(C)C2C)cc1C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is FCHRINDUFXDSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-9-4-5-12(8-13(9)15(16,17)18)20-7-6-14(19)10(2)11(20)3/h4-5,8,10-11,14H,6-7,19H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine?
2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 79406259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).