N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C12H18F3N5O — CID 80844475

IUPACN-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C12H18F3N5O/c1-2-16-9-17-10(20-6-4-3-5-7-20)19-11(18-9)21-8-12(13,14)15/h2-8H2,1H3,(H,16,17,18,19)
InChIKeyYGOUWQRLAHONTB-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.23
Rot. Bonds5

About N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 80844475) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID80844475
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C12H18F3N5O/c1-2-16-9-17-10(20-6-4-3-5-7-20)19-11(18-9)21-8-12(13,14)15/h2-8H2,1H3,(H,16,17,18,19)
InChIKeyYGOUWQRLAHONTB-UHFFFAOYSA-N
XLogP2.23
TPSA63.17 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

{[4-(Methylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 2217945
{[4-(Tert-butylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 2990868
N-cyclopentyl-4-ethoxy-6-[4-(2-(18F)fluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 137645377
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
6-piperidin-1-yl-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 178294349
2-{[4-(Ethylamino)-6-(piperidin-1-YL)-1,3,5-triazin-2-YL]oxy}acetonitrile
CID 1826712
4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-pentyl-1,3,5-triazin-2-amine
CID 634924
2-(Piperidin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1116172
N-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 2192507
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 2827458
4-(azepan-1-yl)-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-propyl-1,3,5-triazin-2-amine
CID 3251709

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 80844475) is N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CCNc1nc(OCC(F)(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is YGOUWQRLAHONTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-2-16-9-17-10(20-6-4-3-5-7-20)19-11(18-9)21-8-12(13,14)15/h2-8H2,1H3,(H,16,17,18,19).
What are the key properties of N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 305.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80844475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).