6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine

C15H24F3N3 — CID 162608079

IUPAC6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine
SMILESCC1C(C(F)(F)F)=C(N2C[C@@H](C)N(C)[C@@H](C)C2)C=CC1N
InChIInChI=1S/C15H24F3N3/c1-9-7-21(8-10(2)20(9)4)13-6-5-12(19)11(3)14(13)15(16,17)18/h5-6,9-12H,7-8,19H2,1-4H3/t9-,10+,11?,12?
InChIKeyKZMYSBFQJLOVCB-ZYANWLCNSA-N
MW303.37 g/mol
LogP2.36
Rot. Bonds1

About 6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine

6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine (PubChem CID 162608079) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine
PubChem CID162608079
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine
SMILESCC1C(C(F)(F)F)=C(N2C[C@@H](C)N(C)[C@@H](C)C2)C=CC1N
InChIInChI=1S/C15H24F3N3/c1-9-7-21(8-10(2)20(9)4)13-6-5-12(19)11(3)14(13)15(16,17)18/h5-6,9-12H,7-8,19H2,1-4H3/t9-,10+,11?,12?
InChIKeyKZMYSBFQJLOVCB-ZYANWLCNSA-N
XLogP2.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine (CID 162608079) is 6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine is CC1C(C(F)(F)F)=C(N2C[C@@H](C)N(C)[C@@H](C)C2)C=CC1N.
What is the InChIKey of 6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine?
The InChIKey is KZMYSBFQJLOVCB-ZYANWLCNSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-9-7-21(8-10(2)20(9)4)13-6-5-12(19)11(3)14(13)15(16,17)18/h5-6,9-12H,7-8,19H2,1-4H3/t9-,10+,11?,12?.
What are the key properties of 6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine?
6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine has a molecular weight of 303.37 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 162608079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).