2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate

C34H48FNO5Si2 — CID 90838286

IUPAC2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
SMILESC[Si](C)(C)CCOCOc1cccc2cc(COC3CN(C(=O)OCC[Si](C)(C)C)CCC3c3ccc(F)cc3)ccc12
InChIInChI=1S/C34H48FNO5Si2/c1-42(2,3)20-18-38-25-41-32-9-7-8-28-22-26(10-15-30(28)32)24-40-33-23-36(34(37)39-19-21-43(4,5)6)17-16-31(33)27-11-13-29(35)14-12-27/h7-15,22,31,33H,16-21,23-25H2,1-6H3
InChIKeyUQEQQKBVDXFUMV-UHFFFAOYSA-N
MW625.93 g/mol
LogP8.52
Rot. Bonds13

About 2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate

2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate (PubChem CID 90838286) has the molecular formula C34H48FNO5Si2 and a molecular weight of 625.93 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
PubChem CID90838286
Molecular FormulaC34H48FNO5Si2
Molecular Weight625.93 g/mol
Exact Mass625.31
IUPAC Name2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
SMILESC[Si](C)(C)CCOCOc1cccc2cc(COC3CN(C(=O)OCC[Si](C)(C)C)CCC3c3ccc(F)cc3)ccc12
InChIInChI=1S/C34H48FNO5Si2/c1-42(2,3)20-18-38-25-41-32-9-7-8-28-22-26(10-15-30(28)32)24-40-33-23-36(34(37)39-19-21-43(4,5)6)17-16-31(33)27-11-13-29(35)14-12-27/h7-15,22,31,33H,16-21,23-25H2,1-6H3
InChIKeyUQEQQKBVDXFUMV-UHFFFAOYSA-N
XLogP8.52
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.93
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-trimethylsilylethyl 3-[[4-(2-carbamoyloxyethoxy)naphthalen-2-yl]methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 54560816
2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
CID 22127049
4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127455
4-[4-(2-pyridin-2-ylsulfanylethyl)phenyl]-3-[[4-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128357
4-[4-[2-(pyridin-3-ylmethoxy)ethoxy]phenyl]-3-[[4-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128786
4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[6-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128128
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22126951
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126950
4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid
CID 22126836
4-[4-[3-(thiophen-2-ylmethoxy)propoxy]phenyl]-3-[[7-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid
CID 22128839
4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127103
tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[4-(4-phenylmethoxybutoxy)phenyl]piperidine-1-carboxylate
CID 54446458

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate (CID 90838286) is 2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate is C[Si](C)(C)CCOCOc1cccc2cc(COC3CN(C(=O)OCC[Si](C)(C)C)CCC3c3ccc(F)cc3)ccc12.
What is the InChIKey of 2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
The InChIKey is UQEQQKBVDXFUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48FNO5Si2/c1-42(2,3)20-18-38-25-41-32-9-7-8-28-22-26(10-15-30(28)32)24-40-33-23-36(34(37)39-19-21-43(4,5)6)17-16-31(33)27-11-13-29(35)14-12-27/h7-15,22,31,33H,16-21,23-25H2,1-6H3.
What are the key properties of 2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate has a molecular weight of 625.93 g/mol, XLogP of 8.52, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 90838286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).