tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate

C25H42ClNO4Si — CID 169138160

IUPACtert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC1(O)c1cc(Cl)ccc1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42ClNO4Si/c1-18-17-27(22(28)31-23(2,3)4)14-13-25(18,29)21-16-20(26)11-10-19(21)12-15-30-32(8,9)24(5,6)7/h10-11,16,18,29H,12-15,17H2,1-9H3
InChIKeyRFOPMAMBICSVHP-UHFFFAOYSA-N
MW484.15 g/mol
LogP6.37
Rot. Bonds5

About tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate

tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate (PubChem CID 169138160) has the molecular formula C25H42ClNO4Si and a molecular weight of 484.15 g/mol. Its IUPAC name is tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate
PubChem CID169138160
Molecular FormulaC25H42ClNO4Si
Molecular Weight484.15 g/mol
Exact Mass483.26
IUPAC Nametert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC1(O)c1cc(Cl)ccc1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42ClNO4Si/c1-18-17-27(22(28)31-23(2,3)4)14-13-25(18,29)21-16-20(26)11-10-19(21)12-15-30-32(8,9)24(5,6)7/h10-11,16,18,29H,12-15,17H2,1-9H3
InChIKeyRFOPMAMBICSVHP-UHFFFAOYSA-N
XLogP6.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.15
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate
CID 66757895
tert-butyl 2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 67500751
tert-butyl 4-(5-chloro-2-fluoro-3-pyridinyl)-4-fluoro-3-methylpiperidine-1-carboxylate
CID 171560605
tert-butyl 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-1-(3-chlorophenyl)butyl]piperidine-1-carboxylate
CID 72529700
tert-butyl (3R)-3-[(1R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-1-(3-chlorophenyl)butyl]piperidine-1-carboxylate
CID 59201612
tert-butyl (1R,6S)-6-(4-chlorophenyl)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124561978
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate
CID 58007307
tert-butyl 3-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-chlorophenyl)-1-hydroxypentyl]piperidine-1-carboxylate
CID 72529606
tert-butyl 6-[(4-chlorophenyl)methyl]-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 87551044
tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
CID 20870871
tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate
CID 175890610
tert-butyl (3R)-4-(3-chlorophenyl)-3-methylpiperazine-1-carboxylate
CID 150433526

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate (CID 169138160) is tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCC1(O)c1cc(Cl)ccc1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate?
The InChIKey is RFOPMAMBICSVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42ClNO4Si/c1-18-17-27(22(28)31-23(2,3)4)14-13-25(18,29)21-16-20(26)11-10-19(21)12-15-30-32(8,9)24(5,6)7/h10-11,16,18,29H,12-15,17H2,1-9H3.
What are the key properties of tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate?
tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate has a molecular weight of 484.15 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorophenyl]-4-hydroxy-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 169138160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).