tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate

C12H22FN3O3 — CID 176650207

IUPACtert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1C[C@](F)(C(=O)NN)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22FN3O3/c1-8-7-12(13,9(17)15-14)5-6-16(8)10(18)19-11(2,3)4/h8H,5-7,14H2,1-4H3,(H,15,17)/t8-,12+/m1/s1
InChIKeyZSGFRRJEWJEFMF-PELKAZGASA-N
MW275.32 g/mol
LogP1.10
Rot. Bonds1

About tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate

tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate (PubChem CID 176650207) has the molecular formula C12H22FN3O3 and a molecular weight of 275.32 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate
PubChem CID176650207
Molecular FormulaC12H22FN3O3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Nametert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1C[C@](F)(C(=O)NN)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22FN3O3/c1-8-7-12(13,9(17)15-14)5-6-16(8)10(18)19-11(2,3)4/h8H,5-7,14H2,1-4H3,(H,15,17)/t8-,12+/m1/s1
InChIKeyZSGFRRJEWJEFMF-PELKAZGASA-N
XLogP1.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate (CID 176650207) is tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate is C[C@@H]1C[C@](F)(C(=O)NN)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate?
The InChIKey is ZSGFRRJEWJEFMF-PELKAZGASA-N. The full InChI is InChI=1S/C12H22FN3O3/c1-8-7-12(13,9(17)15-14)5-6-16(8)10(18)19-11(2,3)4/h8H,5-7,14H2,1-4H3,(H,15,17)/t8-,12+/m1/s1.
What are the key properties of tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate?
tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate has a molecular weight of 275.32 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-fluoro-4-(hydrazinecarbonyl)-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 176650207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).