N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine

C13H17F4N3 — CID 103989894

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCN1CCC(C)(CNc2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C13H17F4N3/c1-13(3-5-20(2)6-4-13)7-18-10-8(14)11(16)19-12(17)9(10)15/h3-7H2,1-2H3,(H,18,19)
InChIKeySDZGKFRCWRYXHB-UHFFFAOYSA-N
MW291.29 g/mol
LogP2.78
Rot. Bonds3

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 103989894) has the molecular formula C13H17F4N3 and a molecular weight of 291.29 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID103989894
Molecular FormulaC13H17F4N3
Molecular Weight291.29 g/mol
Exact Mass291.14
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCN1CCC(C)(CNc2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C13H17F4N3/c1-13(3-5-20(2)6-4-13)7-18-10-8(14)11(16)19-12(17)9(10)15/h3-7H2,1-2H3,(H,18,19)
InChIKeySDZGKFRCWRYXHB-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2,3,5,6-tetrafluoropyridin-4-yl)propane-1,3-diamine
CID 3973534
4-Diethylamino-2,3,5,6-tetrafluoropyridine
CID 14400537
4-(t-Butylamino)-2,3,5,6-tetrafluoropyridine
CID 22121159
2,3,5,6-Tetrafluoro-4-(piperidin-1-yl)pyridin
CID 23441913
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine
CID 4561709
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine
CID 11615416
N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine
CID 132602370
2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine
CID 132602371
1-(2,3,5,6-Tetrafluoro-4-pyridinyl)piperazine
CID 22277803
Pyridine, 2,3,5,6-tetrafluoro-4-(4-methyl-1-piperidinyl)-
CID 23366799
1-Methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
CID 23441906
N-tert-butyl-2,3,5,6-tetrafluoro-1-methylpyridin-1-ium-4-amine
CID 58320110

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine (CID 103989894) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine is CN1CCC(C)(CNc2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is SDZGKFRCWRYXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N3/c1-13(3-5-20(2)6-4-13)7-18-10-8(14)11(16)19-12(17)9(10)15/h3-7H2,1-2H3,(H,18,19).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 291.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 103989894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).