tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate

C13H24F2N2O2 — CID 107241659

IUPACtert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)CC1)C(F)F
InChIInChI=1S/C13H24F2N2O2/c1-9(11(14)15)16-10-5-7-17(8-6-10)12(18)19-13(2,3)4/h9-11,16H,5-8H2,1-4H3
InChIKeyMBPJABSBLFOMQK-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate

tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate (PubChem CID 107241659) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
PubChem CID107241659
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Nametert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)CC1)C(F)F
InChIInChI=1S/C13H24F2N2O2/c1-9(11(14)15)16-10-5-7-17(8-6-10)12(18)19-13(2,3)4/h9-11,16H,5-8H2,1-4H3
InChIKeyMBPJABSBLFOMQK-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate
CID 43652193
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
tert-butyl 4-(3-ethylpentan-2-ylamino)azepane-1-carboxylate
CID 103982165
tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate
CID 103729502
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
tert-butyl 4-[2-(1,1-difluoropropan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 107252356
tert-butyl 6-(1,1-difluoropropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238572
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]propanoic acid
CID 103981851
tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate
CID 107255820
tert-butyl 4-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103980938
tert-butyl 3-[(1,1-difluoropropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 107242462
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate (CID 107241659) is tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate is CC(NC1CCN(C(=O)OC(C)(C)C)CC1)C(F)F.
What is the InChIKey of tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is MBPJABSBLFOMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-9(11(14)15)16-10-5-7-17(8-6-10)12(18)19-13(2,3)4/h9-11,16H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate?
tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 278.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 107241659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).