tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate

C13H23NO3 — CID 54983250

IUPACtert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2(C)CO2)C1
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(15)14-7-5-6-10(8-14)13(4)9-16-13/h10H,5-9H2,1-4H3
InChIKeyVHERDVXRTWPNJS-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.42
Rot. Bonds1

About tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate

tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate (PubChem CID 54983250) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate
PubChem CID54983250
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2(C)CO2)C1
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(15)14-7-5-6-10(8-14)13(4)9-16-13/h10H,5-9H2,1-4H3
InChIKeyVHERDVXRTWPNJS-UHFFFAOYSA-N
XLogP2.42
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.42
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

tert-butyl (3R)-3-(1-hydroxycyclopropyl)piperidine-1-carboxylate
CID 130757419
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tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate
CID 115050025
tert-butyl (3S)-3-(1-methylcyclohexyl)pyrrolidine-1-carboxylate
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tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
CID 71700020
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
zinc tert-butyl (3S)-3-methanidylpiperidine-1-carboxylate
CID 152945495
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 95386953
tert-butyl 8-hydroxy-8-methyl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 162493694

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate (CID 54983250) is tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C2(C)CO2)C1.
What is the InChIKey of tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate?
The InChIKey is VHERDVXRTWPNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,3)17-11(15)14-7-5-6-10(8-14)13(4)9-16-13/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 54983250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).