tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate

C11H22N2O3 — CID 82040400

IUPACtert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CON
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-7-5-4-6-9(13)8-15-12/h9H,4-8,12H2,1-3H3
InChIKeyRTMBGMFTNVNZRY-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.67
Rot. Bonds2

About tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate

tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate (PubChem CID 82040400) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
PubChem CID82040400
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CON
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-7-5-4-6-9(13)8-15-12/h9H,4-8,12H2,1-3H3
InChIKeyRTMBGMFTNVNZRY-UHFFFAOYSA-N
XLogP1.67
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate
CID 54772419
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl (2S)-2-(difluoromethoxymethyl)piperidine-1-carboxylate
CID 134177579
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl (2S)-2-(trifluoromethylsulfonyloxymethyl)piperidine-1-carboxylate
CID 98057049
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate (CID 82040400) is tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CON.
What is the InChIKey of tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate?
The InChIKey is RTMBGMFTNVNZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-7-5-4-6-9(13)8-15-12/h9H,4-8,12H2,1-3H3.
What are the key properties of tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate?
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 82040400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).