tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate

C12H21NO3 — CID 95386953

IUPACtert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CO2)C1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(14)13-6-4-5-9(7-13)10-8-15-10/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyYIKGDITZMFUCDL-ZJUUUORDSA-N
MW227.30 g/mol
LogP2.03
Rot. Bonds1

About tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate

tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate (PubChem CID 95386953) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
PubChem CID95386953
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CO2)C1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(14)13-6-4-5-9(7-13)10-8-15-10/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyYIKGDITZMFUCDL-ZJUUUORDSA-N
XLogP2.03
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]piperidine-2-carboxylic acid
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tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate (CID 95386953) is tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CO2)C1.
What is the InChIKey of tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate?
The InChIKey is YIKGDITZMFUCDL-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)16-11(14)13-6-4-5-9(7-13)10-8-15-10/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 95386953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).