(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one

C29H33F2NO2Si — CID 175835341

IUPAC(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1CCCC(=O)N1Cc1ccc(F)c(F)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33F2NO2Si/c1-29(2,3)35(24-12-6-4-7-13-24,25-14-8-5-9-15-25)34-21-23-11-10-16-28(33)32(23)20-22-17-18-26(30)27(31)19-22/h4-9,12-15,17-19,23H,10-11,16,20-21H2,1-3H3/t23-/m1/s1
InChIKeyUPXIFIFKNIEZCI-HSZRJFAPSA-N
MW493.67 g/mol
LogP5.42
Rot. Bonds7

About (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one

(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one (PubChem CID 175835341) has the molecular formula C29H33F2NO2Si and a molecular weight of 493.67 g/mol. Its IUPAC name is (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one
PubChem CID175835341
Molecular FormulaC29H33F2NO2Si
Molecular Weight493.67 g/mol
Exact Mass493.22
IUPAC Name(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1CCCC(=O)N1Cc1ccc(F)c(F)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33F2NO2Si/c1-29(2,3)35(24-12-6-4-7-13-24,25-14-8-5-9-15-25)34-21-23-11-10-16-28(33)32(23)20-22-17-18-26(30)27(31)19-22/h4-9,12-15,17-19,23H,10-11,16,20-21H2,1-3H3/t23-/m1/s1
InChIKeyUPXIFIFKNIEZCI-HSZRJFAPSA-N
XLogP5.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.67
LogP ≤ 55.42
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 (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one?
The IUPAC name of (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one (CID 175835341) is (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one is CC(C)(C)[Si](OC[C@H]1CCCC(=O)N1Cc1ccc(F)c(F)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one?
The InChIKey is UPXIFIFKNIEZCI-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H33F2NO2Si/c1-29(2,3)35(24-12-6-4-7-13-24,25-14-8-5-9-15-25)34-21-23-11-10-16-28(33)32(23)20-22-17-18-26(30)27(31)19-22/h4-9,12-15,17-19,23H,10-11,16,20-21H2,1-3H3/t23-/m1/s1.
What are the key properties of (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one?
(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one has a molecular weight of 493.67 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 175835341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).