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

C12H17F3N4 — CID 102717481

IUPAC6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCN1CCC(Nc2cc(C(F)(F)F)cc(N)n2)CC1
InChIInChI=1S/C12H17F3N4/c1-19-4-2-9(3-5-19)17-11-7-8(12(13,14)15)6-10(16)18-11/h6-7,9H,2-5H2,1H3,(H3,16,17,18)
InChIKeyCUFCNKUGQKFVSP-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.19
Rot. Bonds2

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

6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717481) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717481
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCN1CCC(Nc2cc(C(F)(F)F)cc(N)n2)CC1
InChIInChI=1S/C12H17F3N4/c1-19-4-2-9(3-5-19)17-11-7-8(12(13,14)15)6-10(16)18-11/h6-7,9H,2-5H2,1H3,(H3,16,17,18)
InChIKeyCUFCNKUGQKFVSP-UHFFFAOYSA-N
XLogP2.19
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718149
4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine
CID 80780371
6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717902
6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719095
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
2-N-(1-methylpiperidin-4-yl)pyrazine-2,6-diamine
CID 80648000
6-N-(2-methylcycloheptyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718779
6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 106193705
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
6-N-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 123542774
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
6-chloro-N-cyclopentyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715432

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717481) is 6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is CN1CCC(Nc2cc(C(F)(F)F)cc(N)n2)CC1.
What is the InChIKey of 6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is CUFCNKUGQKFVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-19-4-2-9(3-5-19)17-11-7-8(12(13,14)15)6-10(16)18-11/h6-7,9H,2-5H2,1H3,(H3,16,17,18).
What are the key properties of 6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 274.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).