tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate

C12H24N4O3 — CID 71823809

IUPACtert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate
SMILESCC(C(=O)NN)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N4O3/c1-9(10(17)14-13)15-5-7-16(8-6-15)11(18)19-12(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,17)
InChIKeySDHIHUUNGDRWRO-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.08
Rot. Bonds2

About tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate

tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate (PubChem CID 71823809) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate
PubChem CID71823809
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Nametert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate
SMILESCC(C(=O)NN)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N4O3/c1-9(10(17)14-13)15-5-7-16(8-6-15)11(18)19-12(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,17)
InChIKeySDHIHUUNGDRWRO-UHFFFAOYSA-N
XLogP-0.08
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate
CID 102205627
tert-butyl 4-(1-fluoroethyl)piperazine-1-carboxylate
CID 53421985
tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate
CID 172803875
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
CID 28505550
tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
CID 129370784
tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate
CID 70034747
tert-butyl 4-(1,3-dichloropropan-2-yl)piperazine-1-carboxylate
CID 155146596
tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
CID 44549256
tert-butyl 4-(2-chloropropanoylamino)piperazine-1-carboxylate
CID 53273915
2-amino-1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethanesulfinate;hydrochloride
CID 174799947
tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
CID 20716162
tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 53350324

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate (CID 71823809) is tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate is CC(C(=O)NN)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate?
The InChIKey is SDHIHUUNGDRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-9(10(17)14-13)15-5-7-16(8-6-15)11(18)19-12(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,17).
What are the key properties of tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate has a molecular weight of 272.35 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 71823809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).