tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate

C19H37NO3Si — CID 11002760

IUPACtert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate
SMILESC/C=C/[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO3Si/c1-10-11-15-12-13-16(23-24(8,9)19(5,6)7)14-20(15)17(21)22-18(2,3)4/h10-11,15-16H,12-14H2,1-9H3/b11-10+/t15-,16-/m0/s1
InChIKeyXRQIYEZJOUXXDU-ISEXYEMMSA-N
MW355.60 g/mol
LogP5.35
Rot. Bonds3

About tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate

tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate (PubChem CID 11002760) has the molecular formula C19H37NO3Si and a molecular weight of 355.60 g/mol. Its IUPAC name is tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate
PubChem CID11002760
Molecular FormulaC19H37NO3Si
Molecular Weight355.60 g/mol
Exact Mass355.25
IUPAC Nametert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate
SMILESC/C=C/[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO3Si/c1-10-11-15-12-13-16(23-24(8,9)19(5,6)7)14-20(15)17(21)22-18(2,3)4/h10-11,15-16H,12-14H2,1-9H3/b11-10+/t15-,16-/m0/s1
InChIKeyXRQIYEZJOUXXDU-ISEXYEMMSA-N
XLogP5.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.60
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate (CID 11002760) is tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate is C/C=C/[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate?
The InChIKey is XRQIYEZJOUXXDU-ISEXYEMMSA-N. The full InChI is InChI=1S/C19H37NO3Si/c1-10-11-15-12-13-16(23-24(8,9)19(5,6)7)14-20(15)17(21)22-18(2,3)4/h10-11,15-16H,12-14H2,1-9H3/b11-10+/t15-,16-/m0/s1.
What are the key properties of tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate?
tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate has a molecular weight of 355.60 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 11002760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).