tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate

C14H25NO4 — CID 97179772

IUPACtert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COC[C@H]2CO2)CC1
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-13(16)15-6-4-11(5-7-15)8-17-9-12-10-18-12/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyCAMVJPLOGVPLAQ-LBPRGKRZSA-N
MW271.36 g/mol
LogP2.05
Rot. Bonds4

About tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate

tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate (PubChem CID 97179772) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate
PubChem CID97179772
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COC[C@H]2CO2)CC1
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-13(16)15-6-4-11(5-7-15)8-17-9-12-10-18-12/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyCAMVJPLOGVPLAQ-LBPRGKRZSA-N
XLogP2.05
TPSA51.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
CID 46941891
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxymethanesulfinic acid
CID 154944363
tert-butyl 4-(3,3,3-trifluoropropoxymethyl)piperidine-1-carboxylate
CID 118481409
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-[[1-(4-bromophenyl)piperidin-4-yl]methoxymethyl]piperidine-1-carboxylate
CID 162741845
tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate
CID 134168095
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
tert-butyl 4-(piperidin-1-yloxymethyl)piperidine-1-carboxylate
CID 175363722
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
tert-butyl 3-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate
CID 66563815
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 4-(methylsulfanylmethyl)piperidine-1-carboxylate
CID 21087276

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate (CID 97179772) is tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(COC[C@H]2CO2)CC1.
What is the InChIKey of tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate?
The InChIKey is CAMVJPLOGVPLAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,3)19-13(16)15-6-4-11(5-7-15)8-17-9-12-10-18-12/h11-12H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 97179772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).