1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one

C21H35NO2Si — CID 139909546

IUPAC1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one
SMILESCC(C)(C)[Si](C)(C)OCCCC1CN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-15-9-12-19-17-22(14-13-20(19)23)16-18-10-7-6-8-11-18/h6-8,10-11,19H,9,12-17H2,1-5H3
InChIKeyDSBBAFFQLLMFKL-UHFFFAOYSA-N
MW361.60 g/mol
LogP4.88
Rot. Bonds7

About 1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one

1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one (PubChem CID 139909546) has the molecular formula C21H35NO2Si and a molecular weight of 361.60 g/mol. Its IUPAC name is 1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one.

Molecular Properties

Compound Name1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one
PubChem CID139909546
Molecular FormulaC21H35NO2Si
Molecular Weight361.60 g/mol
Exact Mass361.24
IUPAC Name1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one
SMILESCC(C)(C)[Si](C)(C)OCCCC1CN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-15-9-12-19-17-22(14-13-20(19)23)16-18-10-7-6-8-11-18/h6-8,10-11,19H,9,12-17H2,1-5H3
InChIKeyDSBBAFFQLLMFKL-UHFFFAOYSA-N
XLogP4.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-4-benzyl-1-ethylpiperazin-2-yl]ethoxy-tert-butyl-dimethylsilane
CID 176897495
3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one
CID 178089202
1-benzyl-3-methylpiperidin-4-one
CID 560965
3-(4-benzylpiperazin-2-yl)propoxy-trimethylsilane
CID 123685954
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
CID 67330677
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
CID 123771378
4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one
CID 123921176
(3R)-1-benzyl-3-bromopiperidin-4-one
CID 92975934
tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
CID 69177639
N-benzyl-2-[(1S,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylidenecyclobutyl]-N-methylethanamine
CID 177429733
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 52915467
tert-butyl-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-dimethylsilane
CID 152675325

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one?
The IUPAC name of 1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one (CID 139909546) is 1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one.
What is the SMILES notation for 1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one?
The canonical SMILES for 1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one is CC(C)(C)[Si](C)(C)OCCCC1CN(Cc2ccccc2)CCC1=O.
What is the InChIKey of 1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one?
The InChIKey is DSBBAFFQLLMFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-15-9-12-19-17-22(14-13-20(19)23)16-18-10-7-6-8-11-18/h6-8,10-11,19H,9,12-17H2,1-5H3.
What are the key properties of 1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one?
1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one has a molecular weight of 361.60 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one is sourced from PubChem (CID 139909546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).