3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one

C14H28BrNO2Si — CID 23114648

IUPAC3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCN1CCCC(Br)C1=O
InChIInChI=1S/C14H28BrNO2Si/c1-14(2,3)19(4,5)18-11-7-10-16-9-6-8-12(15)13(16)17/h12H,6-11H2,1-5H3
InChIKeyKCYJNYPQOXWJNB-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.78
Rot. Bonds5

About 3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one

3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one (PubChem CID 23114648) has the molecular formula C14H28BrNO2Si and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one.

Molecular Properties

Compound Name3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one
PubChem CID23114648
Molecular FormulaC14H28BrNO2Si
Molecular Weight350.37 g/mol
Exact Mass349.11
IUPAC Name3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCN1CCCC(Br)C1=O
InChIInChI=1S/C14H28BrNO2Si/c1-14(2,3)19(4,5)18-11-7-10-16-9-6-8-12(15)13(16)17/h12H,6-11H2,1-5H3
InChIKeyKCYJNYPQOXWJNB-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one?
The IUPAC name of 3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one (CID 23114648) is 3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one.
What is the SMILES notation for 3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one?
The canonical SMILES for 3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one is CC(C)(C)[Si](C)(C)OCCCN1CCCC(Br)C1=O.
What is the InChIKey of 3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one?
The InChIKey is KCYJNYPQOXWJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO2Si/c1-14(2,3)19(4,5)18-11-7-10-16-9-6-8-12(15)13(16)17/h12H,6-11H2,1-5H3.
What are the key properties of 3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one?
3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one has a molecular weight of 350.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one is sourced from PubChem (CID 23114648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).