3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate

C27H39NO3Si — CID 59161013

IUPAC3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate
SMILESCC(=O)OCCCN1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C27H39NO3Si/c1-23(29)30-21-11-18-28-19-16-24(17-20-28)22-31-32(27(2,3)4,25-12-7-5-8-13-25)26-14-9-6-10-15-26/h5-10,12-15,24H,11,16-22H2,1-4H3
InChIKeyZAAMKLWSPVMJFL-UHFFFAOYSA-N
MW453.70 g/mol
LogP4.23
Rot. Bonds9

About 3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate

3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate (PubChem CID 59161013) has the molecular formula C27H39NO3Si and a molecular weight of 453.70 g/mol. Its IUPAC name is 3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate.

Molecular Properties

Compound Name3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate
PubChem CID59161013
Molecular FormulaC27H39NO3Si
Molecular Weight453.70 g/mol
Exact Mass453.27
IUPAC Name3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate
SMILESCC(=O)OCCCN1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C27H39NO3Si/c1-23(29)30-21-11-18-28-19-16-24(17-20-28)22-31-32(27(2,3)4,25-12-7-5-8-13-25)26-14-9-6-10-15-26/h5-10,12-15,24H,11,16-22H2,1-4H3
InChIKeyZAAMKLWSPVMJFL-UHFFFAOYSA-N
XLogP4.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.70
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate?
The IUPAC name of 3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate (CID 59161013) is 3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate.
What is the SMILES notation for 3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate?
The canonical SMILES for 3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate is CC(=O)OCCCN1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of 3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate?
The InChIKey is ZAAMKLWSPVMJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO3Si/c1-23(29)30-21-11-18-28-19-16-24(17-20-28)22-31-32(27(2,3)4,25-12-7-5-8-13-25)26-14-9-6-10-15-26/h5-10,12-15,24H,11,16-22H2,1-4H3.
What are the key properties of 3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate?
3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate has a molecular weight of 453.70 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]propyl acetate is sourced from PubChem (CID 59161013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).