4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine

C12H18F3N5O — CID 82782439

IUPAC4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCCCC(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)5-4-8-21-11-18-9(16)17-10(19-11)20-6-2-1-3-7-20/h1-8H2,(H2,16,17,18,19)
InChIKeyPSKZORCMMHJTMN-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.17
Rot. Bonds5

About 4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine

4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (PubChem CID 82782439) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
PubChem CID82782439
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCCCC(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)5-4-8-21-11-18-9(16)17-10(19-11)20-6-2-1-3-7-20/h1-8H2,(H2,16,17,18,19)
InChIKeyPSKZORCMMHJTMN-UHFFFAOYSA-N
XLogP2.17
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

{[4-(Methylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 2217945
2-(1-Piperazinyl)-4-(1-piperidinyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 2826887
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 1113194
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(1-piperidyl)-
CID 550156
2-(Piperidin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1116172
N-methyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 5138987
4-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2827320
2-N,2-N-bis(2-methylpropyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 140573695
2-Chloro-4-[(2,2-difluorocyclopropyl)methoxy]-6-piperidin-1-yl-1,3,5-triazine
CID 150803491
4-(1-piperidinyl)-N-propyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 2192487
N-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2192544

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (CID 82782439) is 4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is Nc1nc(OCCCC(F)(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of 4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The InChIKey is PSKZORCMMHJTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c13-12(14,15)5-4-8-21-11-18-9(16)17-10(19-11)20-6-2-1-3-7-20/h1-8H2,(H2,16,17,18,19).
What are the key properties of 4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine has a molecular weight of 305.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82782439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).