6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine

C13H19F3N4 — CID 106747739

IUPAC6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
SMILESCN1CCN(c2cc(C(F)(F)F)ncc2N)CC1(C)C
InChIInChI=1S/C13H19F3N4/c1-12(2)8-20(5-4-19(12)3)10-6-11(13(14,15)16)18-7-9(10)17/h6-7H,4-5,8,17H2,1-3H3
InChIKeyNQCPHPVDPYKEMQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.21
Rot. Bonds1

About 6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine

6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine (PubChem CID 106747739) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
PubChem CID106747739
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
SMILESCN1CCN(c2cc(C(F)(F)F)ncc2N)CC1(C)C
InChIInChI=1S/C13H19F3N4/c1-12(2)8-20(5-4-19(12)3)10-6-11(13(14,15)16)18-7-9(10)17/h6-7H,4-5,8,17H2,1-3H3
InChIKeyNQCPHPVDPYKEMQ-UHFFFAOYSA-N
XLogP2.21
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747342
4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747410
4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747710
4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-1-methyl-1,4-diazepan-2-one
CID 106748146
4-morpholin-4-yl-6-(trifluoromethyl)pyridin-3-amine
CID 106747091
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine
CID 106747334
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106748167
5-fluoro-4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)aniline
CID 103590404
5-bromo-2-methyl-4-(3,3,4-trimethylpiperazin-1-yl)aniline
CID 114048254
[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
CID 106747257
5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
CID 113420482
4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747692

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of 6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine (CID 106747739) is 6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for 6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine is CN1CCN(c2cc(C(F)(F)F)ncc2N)CC1(C)C.
What is the InChIKey of 6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is NQCPHPVDPYKEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-12(2)8-20(5-4-19(12)3)10-6-11(13(14,15)16)18-7-9(10)17/h6-7H,4-5,8,17H2,1-3H3.
What are the key properties of 6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine?
6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 288.32 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 106747739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).