4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine

C14H17F6N5O — CID 2827458

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C14H17F6N5O/c1-2-6-21-10-22-11(25-7-4-3-5-8-25)24-12(23-10)26-9(13(15,16)17)14(18,19)20/h2,9H,1,3-8H2,(H,21,22,23,24)
InChIKeyCFIRYMNDJMBXIE-UHFFFAOYSA-N
MW385.31 g/mol
LogP3.33
Rot. Bonds6

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 2827458) has the molecular formula C14H17F6N5O and a molecular weight of 385.31 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID2827458
Molecular FormulaC14H17F6N5O
Molecular Weight385.31 g/mol
Exact Mass385.13
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C14H17F6N5O/c1-2-6-21-10-22-11(25-7-4-3-5-8-25)24-12(23-10)26-9(13(15,16)17)14(18,19)20/h2,9H,1,3-8H2,(H,21,22,23,24)
InChIKeyCFIRYMNDJMBXIE-UHFFFAOYSA-N
XLogP3.33
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 2827457
1,3,5-Triazine, 2-allylamino-4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-
CID 549774
4-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2827320
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
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-N-(propan-2-yl)-1,3,5-triazin-2-amine
CID 3541525
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperazin-1-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 3899680
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(2-methylpropyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3925517
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-methyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3942682
N-tert-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3942687
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperazin-4-ium-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 7316621

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 2827458) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is CFIRYMNDJMBXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6N5O/c1-2-6-21-10-22-11(25-7-4-3-5-8-25)24-12(23-10)26-9(13(15,16)17)14(18,19)20/h2,9H,1,3-8H2,(H,21,22,23,24).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 385.31 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2827458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).