4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine

C18H34F3N5O2 — CID 140573648

IUPAC4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
SMILESCCOC1NC(NC2CCCC(C(F)(F)F)C2)NC(OCC2CCNCC2)N1
InChIInChI=1S/C18H34F3N5O2/c1-2-27-16-24-15(23-14-5-3-4-13(10-14)18(19,20)21)25-17(26-16)28-11-12-6-8-22-9-7-12/h12-17,22-26H,2-11H2,1H3
InChIKeyLQSBPAGZJRGCLO-UHFFFAOYSA-N
MW409.50 g/mol
LogP1.38
Rot. Bonds7

About 4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine

4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine (PubChem CID 140573648) has the molecular formula C18H34F3N5O2 and a molecular weight of 409.50 g/mol. Its IUPAC name is 4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
PubChem CID140573648
Molecular FormulaC18H34F3N5O2
Molecular Weight409.50 g/mol
Exact Mass409.27
IUPAC Name4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
SMILESCCOC1NC(NC2CCCC(C(F)(F)F)C2)NC(OCC2CCNCC2)N1
InChIInChI=1S/C18H34F3N5O2/c1-2-27-16-24-15(23-14-5-3-4-13(10-14)18(19,20)21)25-17(26-16)28-11-12-6-8-22-9-7-12/h12-17,22-26H,2-11H2,1H3
InChIKeyLQSBPAGZJRGCLO-UHFFFAOYSA-N
XLogP1.38
TPSA78.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 51.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine?
The IUPAC name of 4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine (CID 140573648) is 4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine.
What is the SMILES notation for 4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine?
The canonical SMILES for 4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine is CCOC1NC(NC2CCCC(C(F)(F)F)C2)NC(OCC2CCNCC2)N1.
What is the InChIKey of 4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine?
The InChIKey is LQSBPAGZJRGCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F3N5O2/c1-2-27-16-24-15(23-14-5-3-4-13(10-14)18(19,20)21)25-17(26-16)28-11-12-6-8-22-9-7-12/h12-17,22-26H,2-11H2,1H3.
What are the key properties of 4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine?
4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine has a molecular weight of 409.50 g/mol, XLogP of 1.38, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine is sourced from PubChem (CID 140573648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).