tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate

C15H27F2N3O4 — CID 168964411

IUPACtert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NNC1C(F)CN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C15H27F2N3O4/c1-14(2,3)23-12(21)19-18-11-9(16)7-20(8-10(11)17)13(22)24-15(4,5)6/h9-11,18H,7-8H2,1-6H3,(H,19,21)
InChIKeySSFPRINNMPJLPD-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.31
Rot. Bonds2

About tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate

tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate (PubChem CID 168964411) has the molecular formula C15H27F2N3O4 and a molecular weight of 351.39 g/mol. Its IUPAC name is tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate
PubChem CID168964411
Molecular FormulaC15H27F2N3O4
Molecular Weight351.39 g/mol
Exact Mass351.20
IUPAC Nametert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NNC1C(F)CN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C15H27F2N3O4/c1-14(2,3)23-12(21)19-18-11-9(16)7-20(8-10(11)17)13(22)24-15(4,5)6/h9-11,18H,7-8H2,1-6H3,(H,19,21)
InChIKeySSFPRINNMPJLPD-UHFFFAOYSA-N
XLogP2.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (1S,5S)-6-(methylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98125344
tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate
CID 154575288
tert-butyl 3-fluoro-4-isocyanatopyrrolidine-1-carboxylate
CID 84736152
(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylic acid
CID 68804723
tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate
CID 170194480
tert-butyl (3S,4S)-3-[(cyclopropylamino)methyl]-4-fluoropyrrolidine-1-carboxylate
CID 66705198
tert-butyl 3-fluoro-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 83853939
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate (CID 168964411) is tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)NNC1C(F)CN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate?
The InChIKey is SSFPRINNMPJLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O4/c1-14(2,3)23-12(21)19-18-11-9(16)7-20(8-10(11)17)13(22)24-15(4,5)6/h9-11,18H,7-8H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate?
tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate has a molecular weight of 351.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate is sourced from PubChem (CID 168964411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).