tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate

C11H23N5O3 — CID 67643209

IUPACtert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NNC(=O)NN)CC1
InChIInChI=1S/C11H23N5O3/c1-11(2,3)19-10(18)16-6-4-8(5-7-16)14-15-9(17)13-12/h8,14H,4-7,12H2,1-3H3,(H2,13,15,17)
InChIKeyWLNTZJWTWNXKBH-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.06
Rot. Bonds2

About tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate

tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate (PubChem CID 67643209) has the molecular formula C11H23N5O3 and a molecular weight of 273.34 g/mol. Its IUPAC name is tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate
PubChem CID67643209
Molecular FormulaC11H23N5O3
Molecular Weight273.34 g/mol
Exact Mass273.18
IUPAC Nametert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NNC(=O)NN)CC1
InChIInChI=1S/C11H23N5O3/c1-11(2,3)19-10(18)16-6-4-8(5-7-16)14-15-9(17)13-12/h8,14H,4-7,12H2,1-3H3,(H2,13,15,17)
InChIKeyWLNTZJWTWNXKBH-UHFFFAOYSA-N
XLogP0.06
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.06
H-Bond Donors ≤ 54
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'}

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Related Compounds

tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate
CID 107237122
tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate
CID 108909382
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
tert-butyl 4-[(4-aminocyclohexyl)amino]azepane-1-carboxylate
CID 103982002
tert-butyl 4-[2-(2-iodobenzoyl)hydrazinyl]piperidine-1-carboxylate
CID 155248489
tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585
tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate
CID 43652133
tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate
CID 43652193
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl 4-aminosulfanylpiperidine-1-carboxylate
CID 135202849
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-oxoacetic acid
CID 138967384
tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
CID 107241659

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate (CID 67643209) is tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NNC(=O)NN)CC1.
What is the InChIKey of tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate?
The InChIKey is WLNTZJWTWNXKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O3/c1-11(2,3)19-10(18)16-6-4-8(5-7-16)14-15-9(17)13-12/h8,14H,4-7,12H2,1-3H3,(H2,13,15,17).
What are the key properties of tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 0.06, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate is sourced from PubChem (CID 67643209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).