4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine

C23H43F3N6O — CID 140573606

IUPAC4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
SMILESCCOC1NC(NC2CCCC(C(F)(F)F)C2)NC(N2CCN(CC3CCCCC3)CC2)N1
InChIInChI=1S/C23H43F3N6O/c1-2-33-22-29-20(27-19-10-6-9-18(15-19)23(24,25)26)28-21(30-22)32-13-11-31(12-14-32)16-17-7-4-3-5-8-17/h17-22,27-30H,2-16H2,1H3
InChIKeyPCSIAFKHQAQRGM-UHFFFAOYSA-N
MW476.63 g/mol
LogP2.56
Rot. Bonds7

About 4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine

4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine (PubChem CID 140573606) has the molecular formula C23H43F3N6O and a molecular weight of 476.63 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine.

Molecular Properties

Compound Name4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
PubChem CID140573606
Molecular FormulaC23H43F3N6O
Molecular Weight476.63 g/mol
Exact Mass476.35
IUPAC Name4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
SMILESCCOC1NC(NC2CCCC(C(F)(F)F)C2)NC(N2CCN(CC3CCCCC3)CC2)N1
InChIInChI=1S/C23H43F3N6O/c1-2-33-22-29-20(27-19-10-6-9-18(15-19)23(24,25)26)28-21(30-22)32-13-11-31(12-14-32)16-17-7-4-3-5-8-17/h17-22,27-30H,2-16H2,1H3
InChIKeyPCSIAFKHQAQRGM-UHFFFAOYSA-N
XLogP2.56
TPSA63.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine?
The IUPAC name of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine (CID 140573606) is 4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine.
What is the SMILES notation for 4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine?
The canonical SMILES for 4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine is CCOC1NC(NC2CCCC(C(F)(F)F)C2)NC(N2CCN(CC3CCCCC3)CC2)N1.
What is the InChIKey of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine?
The InChIKey is PCSIAFKHQAQRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43F3N6O/c1-2-33-22-29-20(27-19-10-6-9-18(15-19)23(24,25)26)28-21(30-22)32-13-11-31(12-14-32)16-17-7-4-3-5-8-17/h17-22,27-30H,2-16H2,1H3.
What are the key properties of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine?
4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine has a molecular weight of 476.63 g/mol, XLogP of 2.56, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine is sourced from PubChem (CID 140573606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).