tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate

C20H41NO4Si — CID 173124951

IUPACtert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate
SMILESC[SiH](C)OC(CCOCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C20H41NO4Si/c1-19(2,3)17(25-26(7)8)11-14-23-15-16-9-12-21(13-10-16)18(22)24-20(4,5)6/h16-17,26H,9-15H2,1-8H3
InChIKeyHWTPALIYRWHRFX-UHFFFAOYSA-N
MW387.64 g/mol
LogP4.45
Rot. Bonds7

About tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate

tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate (PubChem CID 173124951) has the molecular formula C20H41NO4Si and a molecular weight of 387.64 g/mol. Its IUPAC name is tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate
PubChem CID173124951
Molecular FormulaC20H41NO4Si
Molecular Weight387.64 g/mol
Exact Mass387.28
IUPAC Nametert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate
SMILESC[SiH](C)OC(CCOCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C20H41NO4Si/c1-19(2,3)17(25-26(7)8)11-14-23-15-16-9-12-21(13-10-16)18(22)24-20(4,5)6/h16-17,26H,9-15H2,1-8H3
InChIKeyHWTPALIYRWHRFX-UHFFFAOYSA-N
XLogP4.45
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.64
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(3,3,3-trifluoropropoxymethyl)piperidine-1-carboxylate
CID 118481409
tert-butyl 3-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate
CID 66563815
tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate
CID 97179772
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxymethanesulfinic acid
CID 154944363
tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate
CID 134168095
tert-butyl 4-(4-hydroxypentan-2-yloxymethyl)piperidine-1-carboxylate
CID 171082100
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate (CID 173124951) is tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate is C[SiH](C)OC(CCOCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C.
What is the InChIKey of tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate?
The InChIKey is HWTPALIYRWHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO4Si/c1-19(2,3)17(25-26(7)8)11-14-23-15-16-9-12-21(13-10-16)18(22)24-20(4,5)6/h16-17,26H,9-15H2,1-8H3.
What are the key properties of tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate has a molecular weight of 387.64 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-dimethylsilyloxy-4,4-dimethylpentoxy)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 173124951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).