tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate

C12H25N5O2 — CID 135161885

IUPACtert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate
SMILESC/C(=N/N)N(N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H25N5O2/c1-9(15-13)17(14)10-5-7-16(8-6-10)11(18)19-12(2,3)4/h10H,5-8,13-14H2,1-4H3/b15-9-
InChIKeyKJLUPQIZBVXPBN-DHDCSXOGSA-N
MW271.36 g/mol
LogP0.85
Rot. Bonds1

About tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate

tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate (PubChem CID 135161885) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate
PubChem CID135161885
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC Nametert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate
SMILESC/C(=N/N)N(N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H25N5O2/c1-9(15-13)17(14)10-5-7-16(8-6-10)11(18)19-12(2,3)4/h10H,5-8,13-14H2,1-4H3/b15-9-
InChIKeyKJLUPQIZBVXPBN-DHDCSXOGSA-N
XLogP0.85
TPSA97.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[cyclopropanecarbonyl(methyl)amino]piperidine-1-carboxylate
CID 154576447
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 4-[carbamoyl(sulfanyl)amino]piperidine-1-carboxylate
CID 87593874
tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
CID 18187514
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-aminosulfanylpiperidine-1-carboxylate
CID 135202849
tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400
tert-butyl 4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxylate
CID 59560785
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate (CID 135161885) is tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate is C/C(=N/N)N(N)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate?
The InChIKey is KJLUPQIZBVXPBN-DHDCSXOGSA-N. The full InChI is InChI=1S/C12H25N5O2/c1-9(15-13)17(14)10-5-7-16(8-6-10)11(18)19-12(2,3)4/h10H,5-8,13-14H2,1-4H3/b15-9-.
What are the key properties of tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 135161885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).