tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate

C20H41NO4Si — CID 156751745

IUPACtert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(O)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H41NO4Si/c1-15(25-26(9,10)19(5,6)7)16(22)20(8)11-13-21(14-12-20)17(23)24-18(2,3)4/h15-16,22H,11-14H2,1-10H3/t15-,16?/m0/s1
InChIKeyZSMIAPAIQSZZMT-VYRBHSGPSA-N
MW387.64 g/mol
LogP4.79
Rot. Bonds4

About tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate (PubChem CID 156751745) has the molecular formula C20H41NO4Si and a molecular weight of 387.64 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate
PubChem CID156751745
Molecular FormulaC20H41NO4Si
Molecular Weight387.64 g/mol
Exact Mass387.28
IUPAC Nametert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(O)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H41NO4Si/c1-15(25-26(9,10)19(5,6)7)16(22)20(8)11-13-21(14-12-20)17(23)24-18(2,3)4/h15-16,22H,11-14H2,1-10H3/t15-,16?/m0/s1
InChIKeyZSMIAPAIQSZZMT-VYRBHSGPSA-N
XLogP4.79
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.64
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[(2S)-1,2-dihydroxypropyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 159263519
tert-butyl 4-(1-cyano-2-oxopropyl)-4-methylpiperidine-1-carboxylate
CID 118447523
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
CID 145480180
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-4-carboxylic acid
CID 45073939
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 3-fluoro-3-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 118444608
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate (CID 156751745) is tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate is C[C@H](O[Si](C)(C)C(C)(C)C)C(O)C1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate?
The InChIKey is ZSMIAPAIQSZZMT-VYRBHSGPSA-N. The full InChI is InChI=1S/C20H41NO4Si/c1-15(25-26(9,10)19(5,6)7)16(22)20(8)11-13-21(14-12-20)17(23)24-18(2,3)4/h15-16,22H,11-14H2,1-10H3/t15-,16?/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate has a molecular weight of 387.64 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 156751745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).