tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate

C11H22FN3O2 — CID 170194480

IUPACtert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate
SMILESCNNC1CCN(C(=O)OC(C)(C)C)C[C@@H]1F
InChIInChI=1S/C11H22FN3O2/c1-11(2,3)17-10(16)15-6-5-9(14-13-4)8(12)7-15/h8-9,13-14H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyXQVOVMIEPLSZPJ-IENPIDJESA-N
MW247.31 g/mol
LogP1.06
Rot. Bonds2

About tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate

tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate (PubChem CID 170194480) has the molecular formula C11H22FN3O2 and a molecular weight of 247.31 g/mol. Its IUPAC name is tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate
PubChem CID170194480
Molecular FormulaC11H22FN3O2
Molecular Weight247.31 g/mol
Exact Mass247.17
IUPAC Nametert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate
SMILESCNNC1CCN(C(=O)OC(C)(C)C)C[C@@H]1F
InChIInChI=1S/C11H22FN3O2/c1-11(2,3)17-10(16)15-6-5-9(14-13-4)8(12)7-15/h8-9,13-14H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyXQVOVMIEPLSZPJ-IENPIDJESA-N
XLogP1.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 171487599
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl (3S,4R)-3-fluoro-4-formylpiperidine-1-carboxylate
CID 97289468
tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate
CID 130156406
tert-butyl (3S,4S)-4-ethenoxy-3-fluoropiperidine-1-carboxylate
CID 156538377
tert-butyl (3R,4R)-3-fluoro-4-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate
CID 89088003
tert-butyl (3R,4R)-3-fluoro-4-(2-propan-2-ylanilino)piperidine-1-carboxylate
CID 167457024
tert-butyl (3S,4S)-4-hydroxy-3-(methylamino)piperidine-1-carboxylate
CID 134482174
tert-butyl 3-fluoro-4-isocyanatopyrrolidine-1-carboxylate
CID 84736152
tert-butyl (3R,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 170554641
1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate
CID 83866843
tert-butyl (3S,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 131734058

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate (CID 170194480) is tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate is CNNC1CCN(C(=O)OC(C)(C)C)C[C@@H]1F.
What is the InChIKey of tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate?
The InChIKey is XQVOVMIEPLSZPJ-IENPIDJESA-N. The full InChI is InChI=1S/C11H22FN3O2/c1-11(2,3)17-10(16)15-6-5-9(14-13-4)8(12)7-15/h8-9,13-14H,5-7H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate?
tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate has a molecular weight of 247.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate is sourced from PubChem (CID 170194480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).