[(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen

C11H20F2N2O4 — CID 156710691

IUPAC[(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen
SMILESCC(C)(C)OC(=O)N1C[C@H](NC(=O)O)CC(F)(F)C1.[H][H]
InChIInChI=1S/C11H18F2N2O4.H2/c1-10(2,3)19-9(18)15-5-7(14-8(16)17)4-11(12,13)6-15;/h7,14H,4-6H2,1-3H3,(H,16,17);1H/t7-;/m1./s1
InChIKeyBOVIVWGEEHWYPA-OGFXRTJISA-N
MW282.29 g/mol
LogP2.14
Rot. Bonds1

About [(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen

[(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen (PubChem CID 156710691) has the molecular formula C11H20F2N2O4 and a molecular weight of 282.29 g/mol. Its IUPAC name is [(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen.

Molecular Properties

Compound Name[(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen
PubChem CID156710691
Molecular FormulaC11H20F2N2O4
Molecular Weight282.29 g/mol
Exact Mass282.14
IUPAC Name[(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen
SMILESCC(C)(C)OC(=O)N1C[C@H](NC(=O)O)CC(F)(F)C1.[H][H]
InChIInChI=1S/C11H18F2N2O4.H2/c1-10(2,3)19-9(18)15-5-7(14-8(16)17)4-11(12,13)6-15;/h7,14H,4-6H2,1-3H3,(H,16,17);1H/t7-;/m1./s1
InChIKeyBOVIVWGEEHWYPA-OGFXRTJISA-N
XLogP2.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen with MolForge

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Related Compounds

1-BOC-3-Aminopiperidine
CID 545809
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
rac-tert-butyl N-[(3S,5R)-5-{[(tert-butoxy)carbonyl]amino}piperidin-3-yl]carbamate
CID 21103719
tert-butyl (3R)-3-aminopiperidine-1-carboxylate
CID 1501974
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
CID 1501975
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
CID 1514171
tert-butyl N-(6-methylpiperidin-3-yl)carbamate
CID 42609251
tert-butyl N-methyl-N-(piperidin-3-yl)carbamate
CID 22449166
Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
1-Piperidinecarboxylic acid, 5-amino-3,3-difluoro-, 1,1-dimethylethyl ester
CID 72207300
rac-tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-1-carboxylate
CID 122164103

Frequently Asked Questions

What is the IUPAC name of [(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen?
The IUPAC name of [(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen (CID 156710691) is [(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen.
What is the SMILES notation for [(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen?
The canonical SMILES for [(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen is CC(C)(C)OC(=O)N1C[C@H](NC(=O)O)CC(F)(F)C1.[H][H].
What is the InChIKey of [(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen?
The InChIKey is BOVIVWGEEHWYPA-OGFXRTJISA-N. The full InChI is InChI=1S/C11H18F2N2O4.H2/c1-10(2,3)19-9(18)15-5-7(14-8(16)17)4-11(12,13)6-15;/h7,14H,4-6H2,1-3H3,(H,16,17);1H/t7-;/m1./s1.
What are the key properties of [(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen?
[(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen has a molecular weight of 282.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid;molecular hydrogen is sourced from PubChem (CID 156710691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).