4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid

C24H32FNO3Si — CID 66629305

IUPAC4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCCC1(F)CCN(C(=O)O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32FNO3Si/c1-23(2,3)30(20-10-6-4-7-11-20,21-12-8-5-9-13-21)29-19-16-24(25)14-17-26(18-15-24)22(27)28/h4-13H,14-19H2,1-3H3,(H,27,28)
InChIKeyYPUDFZPLRJEVAY-UHFFFAOYSA-N
MW429.61 g/mol
LogP4.44
Rot. Bonds6

About 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid

4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid (PubChem CID 66629305) has the molecular formula C24H32FNO3Si and a molecular weight of 429.61 g/mol. Its IUPAC name is 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid
PubChem CID66629305
Molecular FormulaC24H32FNO3Si
Molecular Weight429.61 g/mol
Exact Mass429.21
IUPAC Name4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCCC1(F)CCN(C(=O)O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32FNO3Si/c1-23(2,3)30(20-10-6-4-7-11-20,21-12-8-5-9-13-21)29-19-16-24(25)14-17-26(18-15-24)22(27)28/h4-13H,14-19H2,1-3H3,(H,27,28)
InChIKeyYPUDFZPLRJEVAY-UHFFFAOYSA-N
XLogP4.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-(2-{[tert-butyldiphenylsilyl]oxy}ethyl)-4-fluoro-1-piperidinecarboxylate
CID 21096977
4-(2-{[Tert-butyl(diphenyl)silyl]oxy}ethyl)-4-fluoropiperidine
CID 66629995
tert-butyl-[(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamic acid
CID 67035639
Tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamic acid
CID 67955910
tert-butyl-[(1S,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamic acid
CID 67955911
tert-butyl-[(1S,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamic acid
CID 123464502
(3S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 172708228
[4-[Tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid
CID 174056730
(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 175815286
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluoropiperidine-1-carboxylate
CID 177777799
Methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate
CID 10983072
tert-Butyl 4-(2-{[tert-butyldiphenylsilyl]oxy}ethyl)-4-hydroxy-1-piperidine-carboxylate
CID 21096980

Frequently Asked Questions

What is the IUPAC name of 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid (CID 66629305) is 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid is CC(C)(C)[Si](OCCC1(F)CCN(C(=O)O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid?
The InChIKey is YPUDFZPLRJEVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO3Si/c1-23(2,3)30(20-10-6-4-7-11-20,21-12-8-5-9-13-21)29-19-16-24(25)14-17-26(18-15-24)22(27)28/h4-13H,14-19H2,1-3H3,(H,27,28).
What are the key properties of 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid?
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid has a molecular weight of 429.61 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 66629305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).