1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

C14H20F6N2O4 — CID 89480896

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C14H20F6N2O4/c1-12(2,3)26-10(23)21-8-4-6-22(7-5-8)11(24)25-9(13(15,16)17)14(18,19)20/h8-9H,4-7H2,1-3H3,(H,21,23)
InChIKeyGEAGXPNIYFXHAF-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.61
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (PubChem CID 89480896) has the molecular formula C14H20F6N2O4 and a molecular weight of 394.31 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
PubChem CID89480896
Molecular FormulaC14H20F6N2O4
Molecular Weight394.31 g/mol
Exact Mass394.13
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C14H20F6N2O4/c1-12(2,3)26-10(23)21-8-4-6-22(7-5-8)11(24)25-9(13(15,16)17)14(18,19)20/h8-9H,4-7H2,1-3H3,(H,21,23)
InChIKeyGEAGXPNIYFXHAF-UHFFFAOYSA-N
XLogP3.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (CID 89480896) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)NC1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The InChIKey is GEAGXPNIYFXHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6N2O4/c1-12(2,3)26-10(23)21-8-4-6-22(7-5-8)11(24)25-9(13(15,16)17)14(18,19)20/h8-9H,4-7H2,1-3H3,(H,21,23).
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate has a molecular weight of 394.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 89480896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).