tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate

C12H20F3N3O3 — CID 146597487

IUPACtert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)NN)CC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O3/c1-11(2,3)21-10(20)18-5-7(9(19)17-16)4-8(6-18)12(13,14)15/h7-8H,4-6,16H2,1-3H3,(H,17,19)
InChIKeyYSVCXZQTWBALFX-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.41
Rot. Bonds1

About tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 146597487) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID146597487
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Nametert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)NN)CC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O3/c1-11(2,3)21-10(20)18-5-7(9(19)17-16)4-8(6-18)12(13,14)15/h7-8H,4-6,16H2,1-3H3,(H,17,19)
InChIKeyYSVCXZQTWBALFX-UHFFFAOYSA-N
XLogP1.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.41
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 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate (CID 146597487) is tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(=O)NN)CC(C(F)(F)F)C1.
What is the InChIKey of tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is YSVCXZQTWBALFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-11(2,3)21-10(20)18-5-7(9(19)17-16)4-8(6-18)12(13,14)15/h7-8H,4-6,16H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate?
tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 311.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 146597487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).