tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride

C10H22ClN3O2 — CID 56965815

IUPACtert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(NN)CC1.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-10(2,3)15-9(14)13-6-4-8(12-11)5-7-13;/h8,12H,4-7,11H2,1-3H3;1H
InChIKeyVJURLDZABGSHRS-UHFFFAOYSA-N
MW251.76 g/mol
LogP1.27
Rot. Bonds1

About tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride

tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride (PubChem CID 56965815) has the molecular formula C10H22ClN3O2 and a molecular weight of 251.76 g/mol. Its IUPAC name is tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride
PubChem CID56965815
Molecular FormulaC10H22ClN3O2
Molecular Weight251.76 g/mol
Exact Mass251.14
IUPAC Nametert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(NN)CC1.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-10(2,3)15-9(14)13-6-4-8(12-11)5-7-13;/h8,12H,4-7,11H2,1-3H3;1H
InChIKeyVJURLDZABGSHRS-UHFFFAOYSA-N
XLogP1.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 4-hydrazinylpiperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride (CID 56965815) is tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC(NN)CC1.Cl.
What is the InChIKey of tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride?
The InChIKey is VJURLDZABGSHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.ClH/c1-10(2,3)15-9(14)13-6-4-8(12-11)5-7-13;/h8,12H,4-7,11H2,1-3H3;1H.
What are the key properties of tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride?
tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydrazinylpiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 56965815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).