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

C11H21N3O3 — CID 45158811

IUPACtert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)NN)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-5-8(7-14)9(15)13-12/h8H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyDABYYYLRDBQJTK-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.62
Rot. Bonds1

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

tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate (PubChem CID 45158811) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate
PubChem CID45158811
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)NN)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-5-8(7-14)9(15)13-12/h8H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyDABYYYLRDBQJTK-UHFFFAOYSA-N
XLogP0.62
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.62
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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Related Compounds

tert-Butyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate
CID 22713165
3-Carbamoyl-piperidine-1-carboxylic acid tert-butyl ester
CID 14661895
Tert-butyl 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
CID 57426043
N-boc-r-nipecotic acid hydrazide
CID 71283950
Tert-butyl 3-fluoro-3-(hydrazinecarbonyl)piperidine-1-carboxylate
CID 139301668
Tert-butyl 3-(hydrazinecarbonyl)-5-(trifluoromethyl)piperidine-1-carboxylate
CID 146597487
Tert-butyl 3-fluoro-5-(hydrazinecarbonyl)piperidine-1-carboxylate
CID 156246650
Tert-butyl 3-fluoro-4-(hydrazinecarbonyl)piperidine-1-carboxylate
CID 164819870
(S)-tert-Butyl 1-(piperidine-3-carbonyl)hydrazinecarboxylate
CID 118989717
Tert-butyl 3-fluoro-3-(formamidocarbamoyl)piperidine-1-carboxylate
CID 175546211
Tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate
CID 9180460
tert-Butyl (2-oxopiperidin-1-yl)carbamate
CID 17896840

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate (CID 45158811) is tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)NN)C1.
What is the InChIKey of tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate?
The InChIKey is DABYYYLRDBQJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-5-8(7-14)9(15)13-12/h8H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate?
tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 0.62, 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)piperidine-1-carboxylate is sourced from PubChem (CID 45158811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).