4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine

C16H29F4N5O — CID 140573607

IUPAC4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine
SMILESFC1CCC(C2NC(NC3CCNCC3)NC(OCC(F)(F)F)N2)CC1
InChIInChI=1S/C16H29F4N5O/c17-11-3-1-10(2-4-11)13-23-14(22-12-5-7-21-8-6-12)25-15(24-13)26-9-16(18,19)20/h10-15,21-25H,1-9H2
InChIKeyARXDVZSOGPELED-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.11
Rot. Bonds5

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

4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine (PubChem CID 140573607) has the molecular formula C16H29F4N5O and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine.

Molecular Properties

Compound Name4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine
PubChem CID140573607
Molecular FormulaC16H29F4N5O
Molecular Weight383.43 g/mol
Exact Mass383.23
IUPAC Name4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine
SMILESFC1CCC(C2NC(NC3CCNCC3)NC(OCC(F)(F)F)N2)CC1
InChIInChI=1S/C16H29F4N5O/c17-11-3-1-10(2-4-11)13-23-14(22-12-5-7-21-8-6-12)25-15(24-13)26-9-16(18,19)20/h10-15,21-25H,1-9H2
InChIKeyARXDVZSOGPELED-UHFFFAOYSA-N
XLogP1.11
TPSA69.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine?
The IUPAC name of 4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine (CID 140573607) is 4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine.
What is the SMILES notation for 4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine?
The canonical SMILES for 4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine is FC1CCC(C2NC(NC3CCNCC3)NC(OCC(F)(F)F)N2)CC1.
What is the InChIKey of 4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine?
The InChIKey is ARXDVZSOGPELED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F4N5O/c17-11-3-1-10(2-4-11)13-23-14(22-12-5-7-21-8-6-12)25-15(24-13)26-9-16(18,19)20/h10-15,21-25H,1-9H2.
What are the key properties of 4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine?
4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine has a molecular weight of 383.43 g/mol, XLogP of 1.11, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine is sourced from PubChem (CID 140573607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).