1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate

C10H14F6N2O2 — CID 89480691

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate
SMILESNCC1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H14F6N2O2/c11-9(12,13)7(10(14,15)16)20-8(19)18-3-1-6(5-17)2-4-18/h6-7H,1-5,17H2
InChIKeyXOLUTKKGMYKFBF-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.29
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate (PubChem CID 89480691) has the molecular formula C10H14F6N2O2 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate
PubChem CID89480691
Molecular FormulaC10H14F6N2O2
Molecular Weight308.22 g/mol
Exact Mass308.10
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate
SMILESNCC1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H14F6N2O2/c11-9(12,13)7(10(14,15)16)20-8(19)18-3-1-6(5-17)2-4-18/h6-7H,1-5,17H2
InChIKeyXOLUTKKGMYKFBF-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-(1-amino-2,2,2-trifluoroethyl)piperidine-1-carboxylate
CID 49759504
tert-butyl 4-(2-Aminoethyl)-3,3-difluoropiperidine-1-carboxylate
CID 84807400
2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate
CID 9115251
Tert-butyl 4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
CID 72207469
Tert-butyl 4-(2-amino-1,1-difluoroethyl)piperidine-1-carboxylate
CID 105515125
Tert-butyl 4-(aminomethyl)-3-(trifluoromethyl)piperidine-1-carboxylate
CID 53418005
Ethyl 3-fluoro-4-(methylaminomethyl)piperidine-1-carboxylate
CID 57845341
Ethyl 4-(aminomethyl)-3-fluoropiperidine-1-carboxylate
CID 57845349
Tert-butyl 4-((2,2,2-trifluoroethylamino)methyl)piperidine-1-carboxylate
CID 66728665
2-Methylpropyl 3-(aminomethyl)-4,4-difluoropiperidine-1-carboxylate
CID 68290155
tert-butyl N-{[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl}carbamate
CID 71214295
Tert-butyl 3-(2-aminoethyl)-4,4-difluoro-piperidine-1-carboxylate
CID 84807401

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate (CID 89480691) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate is NCC1CCN(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-(aminomethyl)piperidine-1-carboxylate?
The InChIKey is XOLUTKKGMYKFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O2/c11-9(12,13)7(10(14,15)16)20-8(19)18-3-1-6(5-17)2-4-18/h6-7H,1-5,17H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate has a molecular weight of 308.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-(aminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 89480691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).