benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate

C22H37NO4Si — CID 141135408

IUPACbenzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
SMILESCC(C)[Si](OC1CCC(O)N(C(=O)OCc2ccccc2)C1)(C(C)C)C(C)C
InChIInChI=1S/C22H37NO4Si/c1-16(2)28(17(3)4,18(5)6)27-20-12-13-21(24)23(14-20)22(25)26-15-19-10-8-7-9-11-19/h7-11,16-18,20-21,24H,12-15H2,1-6H3
InChIKeyJOLCUIAVBGOXME-UHFFFAOYSA-N
MW407.63 g/mol
LogP5.30
Rot. Bonds7

About benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate

benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate (PubChem CID 141135408) has the molecular formula C22H37NO4Si and a molecular weight of 407.63 g/mol. Its IUPAC name is benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
PubChem CID141135408
Molecular FormulaC22H37NO4Si
Molecular Weight407.63 g/mol
Exact Mass407.25
IUPAC Namebenzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
SMILESCC(C)[Si](OC1CCC(O)N(C(=O)OCc2ccccc2)C1)(C(C)C)C(C)C
InChIInChI=1S/C22H37NO4Si/c1-16(2)28(17(3)4,18(5)6)27-20-12-13-21(24)23(14-20)22(25)26-15-19-10-8-7-9-11-19/h7-11,16-18,20-21,24H,12-15H2,1-6H3
InChIKeyJOLCUIAVBGOXME-UHFFFAOYSA-N
XLogP5.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.63
LogP ≤ 55.30
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

benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
CID 130369185
benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate
CID 71619529
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
benzyl (2S,4S)-2-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66592753
benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 86724500
benzyl (2S)-2-[dimethylamino(hydroxy)methyl]azetidine-1-carboxylate
CID 143448377
benzyl (2S,4R)-2-(aminomethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylate
CID 68862962
(2R,4S)-4-acetyloxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 18391514
benzyl (2S,4R)-4-hydroxy-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate
CID 167189286
benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
CID 15479399
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 154193684

Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
The IUPAC name of benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate (CID 141135408) is benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate is CC(C)[Si](OC1CCC(O)N(C(=O)OCc2ccccc2)C1)(C(C)C)C(C)C.
What is the InChIKey of benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
The InChIKey is JOLCUIAVBGOXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO4Si/c1-16(2)28(17(3)4,18(5)6)27-20-12-13-21(24)23(14-20)22(25)26-15-19-10-8-7-9-11-19/h7-11,16-18,20-21,24H,12-15H2,1-6H3.
What are the key properties of benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate has a molecular weight of 407.63 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate is sourced from PubChem (CID 141135408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).