ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate

C18H27NO3Si — CID 54768626

IUPACethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(/C=C/[Si](C)(C)c2ccccc2)CC1
InChIInChI=1S/C18H27NO3Si/c1-4-22-17(20)19-13-10-18(21,11-14-19)12-15-23(2,3)16-8-6-5-7-9-16/h5-9,12,15,21H,4,10-11,13-14H2,1-3H3/b15-12+
InChIKeyZIHWDKNPBPCIPF-NTCAYCPXSA-N
MW333.50 g/mol
LogP2.68
Rot. Bonds4

About ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate

ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 54768626) has the molecular formula C18H27NO3Si and a molecular weight of 333.50 g/mol. Its IUPAC name is ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate
PubChem CID54768626
Molecular FormulaC18H27NO3Si
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Nameethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(/C=C/[Si](C)(C)c2ccccc2)CC1
InChIInChI=1S/C18H27NO3Si/c1-4-22-17(20)19-13-10-18(21,11-14-19)12-15-23(2,3)16-8-6-5-7-9-16/h5-9,12,15,21H,4,10-11,13-14H2,1-3H3/b15-12+
InChIKeyZIHWDKNPBPCIPF-NTCAYCPXSA-N
XLogP2.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate (CID 54768626) is ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate is CCOC(=O)N1CCC(O)(/C=C/[Si](C)(C)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is ZIHWDKNPBPCIPF-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H27NO3Si/c1-4-22-17(20)19-13-10-18(21,11-14-19)12-15-23(2,3)16-8-6-5-7-9-16/h5-9,12,15,21H,4,10-11,13-14H2,1-3H3/b15-12+.
What are the key properties of ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate?
ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 333.50 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 54768626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).