1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone

C25H35NO2Si — CID 67964999

IUPAC1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](C)CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H35NO2Si/c1-20-16-17-22(26(18-20)21(2)27)19-28-29(25(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,20,22H,16-19H2,1-5H3/t20-,22-/m0/s1
InChIKeyBEALVEYBISGUFB-UNMCSNQZSA-N
MW409.65 g/mol
LogP4.21
Rot. Bonds5

About 1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone

1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone (PubChem CID 67964999) has the molecular formula C25H35NO2Si and a molecular weight of 409.65 g/mol. Its IUPAC name is 1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone
PubChem CID67964999
Molecular FormulaC25H35NO2Si
Molecular Weight409.65 g/mol
Exact Mass409.24
IUPAC Name1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](C)CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H35NO2Si/c1-20-16-17-22(26(18-20)21(2)27)19-28-29(25(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,20,22H,16-19H2,1-5H3/t20-,22-/m0/s1
InChIKeyBEALVEYBISGUFB-UNMCSNQZSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.65
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone (CID 67964999) is 1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone is CC(=O)N1C[C@@H](C)CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone?
The InChIKey is BEALVEYBISGUFB-UNMCSNQZSA-N. The full InChI is InChI=1S/C25H35NO2Si/c1-20-16-17-22(26(18-20)21(2)27)19-28-29(25(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,20,22H,16-19H2,1-5H3/t20-,22-/m0/s1.
What are the key properties of 1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone?
1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone has a molecular weight of 409.65 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 67964999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).