2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone

C14H24F3N3O2 — CID 167784422

IUPAC2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNC1CCC(OCC(=O)N2CC(N)CCC2C(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c15-14(16,17)12-6-3-10(19)7-20(12)13(21)8-22-11-4-1-9(18)2-5-11/h9-12H,1-8,18-19H2
InChIKeyQJJIBRVDJKKYPW-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.15
Rot. Bonds3

About 2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone

2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 167784422) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID167784422
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNC1CCC(OCC(=O)N2CC(N)CCC2C(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c15-14(16,17)12-6-3-10(19)7-20(12)13(21)8-22-11-4-1-9(18)2-5-11/h9-12H,1-8,18-19H2
InChIKeyQJJIBRVDJKKYPW-UHFFFAOYSA-N
XLogP1.15
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone (CID 167784422) is 2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone is NC1CCC(OCC(=O)N2CC(N)CCC2C(F)(F)F)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is QJJIBRVDJKKYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c15-14(16,17)12-6-3-10(19)7-20(12)13(21)8-22-11-4-1-9(18)2-5-11/h9-12H,1-8,18-19H2.
What are the key properties of 2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 323.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)oxy-1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 167784422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).