6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H19F3N4 — CID 102717902

IUPAC6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCN1CCCC(Nc2cc(C(F)(F)F)cc(N)n2)C1
InChIInChI=1S/C13H19F3N4/c1-2-20-5-3-4-10(8-20)18-12-7-9(13(14,15)16)6-11(17)19-12/h6-7,10H,2-5,8H2,1H3,(H3,17,18,19)
InChIKeyQSZVQXSJPICXPK-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.58
Rot. Bonds3

About 6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717902) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717902
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCN1CCCC(Nc2cc(C(F)(F)F)cc(N)n2)C1
InChIInChI=1S/C13H19F3N4/c1-2-20-5-3-4-10(8-20)18-12-7-9(13(14,15)16)6-11(17)19-12/h6-7,10H,2-5,8H2,1H3,(H3,17,18,19)
InChIKeyQSZVQXSJPICXPK-UHFFFAOYSA-N
XLogP2.58
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564466
6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717481
6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718149
2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717716
6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 106193705
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
N-(1-ethylpiperidin-3-yl)-5-fluoropyridin-2-amine
CID 61313341
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80941716
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474
N-(1-ethylpiperidin-3-yl)-4-methylquinolin-2-amine
CID 122561309
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961869

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717902) is 6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCN1CCCC(Nc2cc(C(F)(F)F)cc(N)n2)C1.
What is the InChIKey of 6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is QSZVQXSJPICXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-2-20-5-3-4-10(8-20)18-12-7-9(13(14,15)16)6-11(17)19-12/h6-7,10H,2-5,8H2,1H3,(H3,17,18,19).
What are the key properties of 6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).