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

C34H68N2O10Si — CID 159263519

IUPACtert-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
SMILESC[C@H](O)C(O)C1(CO)CCN(C(=O)OC(C)(C)C)CC1.C[C@H](O[Si](C)(C)C(C)(C)C)C(O)C1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H41NO5Si.C14H27NO5/c1-15(26-27(8,9)19(5,6)7)16(23)20(14-22)10-12-21(13-11-20)17(24)25-18(2,3)4;1-10(17)11(18)14(9-16)5-7-15(8-6-14)12(19)20-13(2,3)4/h15-16,22-23H,10-14H2,1-9H3;10-11,16-18H,5-9H2,1-4H3/t15-,16?;10-,11?/m00/s1
InChIKeyKWUPTJGWZUMQKF-FFIIYZIASA-N
MW693.01 g/mol
LogP4.50
Rot. Bonds8

About 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

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 (PubChem CID 159263519) has the molecular formula C34H68N2O10Si and a molecular weight of 693.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID159263519
Molecular FormulaC34H68N2O10Si
Molecular Weight693.01 g/mol
Exact Mass692.46
IUPAC Nametert-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
SMILESC[C@H](O)C(O)C1(CO)CCN(C(=O)OC(C)(C)C)CC1.C[C@H](O[Si](C)(C)C(C)(C)C)C(O)C1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H41NO5Si.C14H27NO5/c1-15(26-27(8,9)19(5,6)7)16(23)20(14-22)10-12-21(13-11-20)17(24)25-18(2,3)4;1-10(17)11(18)14(9-16)5-7-15(8-6-14)12(19)20-13(2,3)4/h15-16,22-23H,10-14H2,1-9H3;10-11,16-18H,5-9H2,1-4H3/t15-,16?;10-,11?/m00/s1
InChIKeyKWUPTJGWZUMQKF-FFIIYZIASA-N
XLogP4.50
TPSA169.46 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500693.01
LogP ≤ 54.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[(2S)-1,2-dihydroxypropyl]-4-(hydroxymethyl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate
CID 156751745
[4-[(2S)-1,2-dihydroxypropyl]-4-(hydroxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174972498
tert-butyl 4-[(1R)-1-aminoethyl]-4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 176653558
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-4-carboxylic acid
CID 45073939
tert-butyl 4-(3-hydroxypropyl)-4-(1-nitroethyl)piperidine-1-carboxylate
CID 176653567
tert-butyl 4-formyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 130743558
benzene;tert-butyl 4-[1-(cyclopropylamino)ethyl]-4-(methoxymethyl)piperidine-1-carboxylate;ethane
CID 144903317
tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065
tert-butyl 2-(hydroxymethyl)-2-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 171657091
tert-butyl 4-(hydroxymethyl)-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 165443899
tert-butyl 4-[(1-benzylpyrazol-3-yl)-hydroxymethyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 165387948

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](O)C(O)C1(CO)CCN(C(=O)OC(C)(C)C)CC1.C[C@H](O[Si](C)(C)C(C)(C)C)C(O)C1(CO)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-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[(2S)-1,2-dihydroxypropyl]-4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is KWUPTJGWZUMQKF-FFIIYZIASA-N. The full InChI is InChI=1S/C20H41NO5Si.C14H27NO5/c1-15(26-27(8,9)19(5,6)7)16(23)20(14-22)10-12-21(13-11-20)17(24)25-18(2,3)4;1-10(17)11(18)14(9-16)5-7-15(8-6-14)12(19)20-13(2,3)4/h15-16,22-23H,10-14H2,1-9H3;10-11,16-18H,5-9H2,1-4H3/t15-,16?;10-,11?/m00/s1.
What are the key properties of 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?
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 has a molecular weight of 693.01 g/mol, XLogP of 4.50, 8 rotatable bonds, 5 hydrogen bond donors, and 10 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-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[(2S)-1,2-dihydroxypropyl]-4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 159263519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).