2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate

C19H28F3NO2Si — CID 123975899

IUPAC2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
SMILESC[Si](C)(C)CCOC(=O)CC1CCNC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H28F3NO2Si/c1-26(2,3)11-10-25-18(24)13-14-8-9-23-17(12-14)15-4-6-16(7-5-15)19(20,21)22/h4-7,14,17,23H,8-13H2,1-3H3
InChIKeyCQDMMJABVPTDIQ-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.02
Rot. Bonds6

About 2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate

2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate (PubChem CID 123975899) has the molecular formula C19H28F3NO2Si and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
PubChem CID123975899
Molecular FormulaC19H28F3NO2Si
Molecular Weight387.52 g/mol
Exact Mass387.18
IUPAC Name2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
SMILESC[Si](C)(C)CCOC(=O)CC1CCNC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H28F3NO2Si/c1-26(2,3)11-10-25-18(24)13-14-8-9-23-17(12-14)15-4-6-16(7-5-15)19(20,21)22/h4-7,14,17,23H,8-13H2,1-3H3
InChIKeyCQDMMJABVPTDIQ-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.02
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 2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate?
The IUPAC name of 2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate (CID 123975899) is 2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate.
What is the SMILES notation for 2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate?
The canonical SMILES for 2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate is C[Si](C)(C)CCOC(=O)CC1CCNC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate?
The InChIKey is CQDMMJABVPTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO2Si/c1-26(2,3)11-10-25-18(24)13-14-8-9-23-17(12-14)15-4-6-16(7-5-15)19(20,21)22/h4-7,14,17,23H,8-13H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate?
2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate has a molecular weight of 387.52 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate is sourced from PubChem (CID 123975899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).