[(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane

C26H37NOSi — CID 138981412

IUPAC[(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=C[C@@H](C)[C@@H]1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1
InChIInChI=1S/C26H37NOSi/c1-6-21(2)25-18-17-22(19-27-25)20-28-29(26(3,4)5,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h6-16,21-22,25,27H,1,17-20H2,2-5H3/t21-,22+,25+/m1/s1
InChIKeyUWIFRYVDRYCLRR-SLSDLSHTSA-N
MW407.67 g/mol
LogP4.75
Rot. Bonds7

About [(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane

[(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 138981412) has the molecular formula C26H37NOSi and a molecular weight of 407.67 g/mol. Its IUPAC name is [(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID138981412
Molecular FormulaC26H37NOSi
Molecular Weight407.67 g/mol
Exact Mass407.26
IUPAC Name[(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=C[C@@H](C)[C@@H]1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1
InChIInChI=1S/C26H37NOSi/c1-6-21(2)25-18-17-22(19-27-25)20-28-29(26(3,4)5,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h6-16,21-22,25,27H,1,17-20H2,2-5H3/t21-,22+,25+/m1/s1
InChIKeyUWIFRYVDRYCLRR-SLSDLSHTSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.67
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 177776892
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CID 17753385
CID 17753385
CID 17758967
CID 17758967
CID 138981409
CID 138981409
CID 154712403
CID 154712403
CID 90662196
CID 90662196
CID 357804
CID 357804
CID 11189155
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CID 59363644
CID 59363644

Frequently Asked Questions

What is the IUPAC name of [(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane (CID 138981412) is [(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane is C=C[C@@H](C)[C@@H]1CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1.
What is the InChIKey of [(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is UWIFRYVDRYCLRR-SLSDLSHTSA-N. The full InChI is InChI=1S/C26H37NOSi/c1-6-21(2)25-18-17-22(19-27-25)20-28-29(26(3,4)5,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h6-16,21-22,25,27H,1,17-20H2,2-5H3/t21-,22+,25+/m1/s1.
What are the key properties of [(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane?
[(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 407.67 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-6-[(2R)-but-3-en-2-yl]piperidin-3-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 138981412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).