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

C25H36F12N4O6 — CID 161303825

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCC1(N)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1.CC1(NC(=O)OC(C)(C)C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H22F6N2O4.C10H14F6N2O2/c1-12(2,3)27-10(24)22-13(4)5-7-23(8-6-13)11(25)26-9(14(16,17)18)15(19,20)21;1-8(17)2-4-18(5-3-8)7(19)20-6(9(11,12)13)10(14,15)16/h9H,5-8H2,1-4H3,(H,22,24);6H,2-5,17H2,1H3
InChIKeyVHYYXXQGYNUBIA-UHFFFAOYSA-N
MW716.56 g/mol
LogP6.42
Rot. Bonds3

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

1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (PubChem CID 161303825) has the molecular formula C25H36F12N4O6 and a molecular weight of 716.56 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
PubChem CID161303825
Molecular FormulaC25H36F12N4O6
Molecular Weight716.56 g/mol
Exact Mass716.24
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCC1(N)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1.CC1(NC(=O)OC(C)(C)C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H22F6N2O4.C10H14F6N2O2/c1-12(2,3)27-10(24)22-13(4)5-7-23(8-6-13)11(25)26-9(14(16,17)18)15(19,20)21;1-8(17)2-4-18(5-3-8)7(19)20-6(9(11,12)13)10(14,15)16/h9H,5-8H2,1-4H3,(H,22,24);6H,2-5,17H2,1H3
InChIKeyVHYYXXQGYNUBIA-UHFFFAOYSA-N
XLogP6.42
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.56
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate
CID 137522982
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 137523015
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 137524487
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 137533097
tert-butyl 4-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate;methane;2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 157829600
tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 158438383
tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate;1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 158998920
tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride
CID 159828934
Acetyl 2,2,2-trifluoroacetate;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
CID 160706088
tert-butyl N-(4-methylpiperidin-4-yl)carbamate;1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 161390819
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 162239297
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-methyl-4-(2-methylpropoxycarbonylamino)piperidine-1-carboxylate
CID 169725219

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (CID 161303825) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-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-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is CC1(N)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1.CC1(NC(=O)OC(C)(C)C)CCN(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-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The InChIKey is VHYYXXQGYNUBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F6N2O4.C10H14F6N2O2/c1-12(2,3)27-10(24)22-13(4)5-7-23(8-6-13)11(25)26-9(14(16,17)18)15(19,20)21;1-8(17)2-4-18(5-3-8)7(19)20-6(9(11,12)13)10(14,15)16/h9H,5-8H2,1-4H3,(H,22,24);6H,2-5,17H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate has a molecular weight of 716.56 g/mol, XLogP of 6.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 161303825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).