dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate

C18H35NO5Si — CID 71503739

IUPACdimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CCN1C(=O)OC
InChIInChI=1S/C18H35NO5Si/c1-12(2)25(13(3)4,14(5)6)24-15-9-10-19(18(21)23-8)16(11-15)17(20)22-7/h12-16H,9-11H2,1-8H3/t15-,16+/m1/s1
InChIKeyFVHWJCSVBVLADV-CVEARBPZSA-N
MW373.57 g/mol
LogP3.95
Rot. Bonds6

About dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate

dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate (PubChem CID 71503739) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate
PubChem CID71503739
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Namedimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CCN1C(=O)OC
InChIInChI=1S/C18H35NO5Si/c1-12(2)25(13(3)4,14(5)6)24-15-9-10-19(18(21)23-8)16(11-15)17(20)22-7/h12-16H,9-11H2,1-8H3/t15-,16+/m1/s1
InChIKeyFVHWJCSVBVLADV-CVEARBPZSA-N
XLogP3.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate (CID 71503739) is dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate is COC(=O)[C@@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CCN1C(=O)OC.
What is the InChIKey of dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate?
The InChIKey is FVHWJCSVBVLADV-CVEARBPZSA-N. The full InChI is InChI=1S/C18H35NO5Si/c1-12(2)25(13(3)4,14(5)6)24-15-9-10-19(18(21)23-8)16(11-15)17(20)22-7/h12-16H,9-11H2,1-8H3/t15-,16+/m1/s1.
What are the key properties of dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate?
dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate has a molecular weight of 373.57 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,4R)-4-tri(propan-2-yl)silyloxypiperidine-1,2-dicarboxylate is sourced from PubChem (CID 71503739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).