benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate

C23H37NO3Si — CID 11246675

IUPACbenzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
SMILESC=CCC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H37NO3Si/c1-7-8-15-20-21(27-28(5,6)23(2,3)4)16-12-17-24(20)22(25)26-18-19-13-10-9-11-14-19/h7,9-11,13-14,20-21H,1,8,12,15-18H2,2-6H3/t20-,21-/m1/s1
InChIKeyZMAWWKDNBLCLIA-NHCUHLMSSA-N
MW403.64 g/mol
LogP6.14
Rot. Bonds7

About benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate

benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate (PubChem CID 11246675) has the molecular formula C23H37NO3Si and a molecular weight of 403.64 g/mol. Its IUPAC name is benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
PubChem CID11246675
Molecular FormulaC23H37NO3Si
Molecular Weight403.64 g/mol
Exact Mass403.25
IUPAC Namebenzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
SMILESC=CCC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H37NO3Si/c1-7-8-15-20-21(27-28(5,6)23(2,3)4)16-12-17-24(20)22(25)26-18-19-13-10-9-11-14-19/h7,9-11,13-14,20-21H,1,8,12,15-18H2,2-6H3/t20-,21-/m1/s1
InChIKeyZMAWWKDNBLCLIA-NHCUHLMSSA-N
XLogP6.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.64
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate with MolForge

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Related Compounds

Mlv 3076
CID 128596
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-cis)-
CID 13713344
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4S-trans)-
CID 13713346
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-trans)-
CID 13713348
n-Cbz-3-hydroxypiperidine
CID 561665
(R)-Benzyl 3-hydroxypiperidine-1-carboxylate
CID 6932652
tert-Butyl 4-(benzyloxy)piperidine-1-carboxylate
CID 11694980
rac-benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 10514758
rac-benzyl (2R,4R)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 10586714
Benzyl 3-hydroxy-2-methylpiperidine-1-carboxylate
CID 59438484
Benzyl 2-benzyl-3-hydroxypiperidine-1-carboxylate
CID 44413821
phenylmethyl (2S)-2-(hydroxymethyl)-1-piperidinecarboxylate
CID 10879502

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate (CID 11246675) is benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate is C=CCC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
The InChIKey is ZMAWWKDNBLCLIA-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H37NO3Si/c1-7-8-15-20-21(27-28(5,6)23(2,3)4)16-12-17-24(20)22(25)26-18-19-13-10-9-11-14-19/h7,9-11,13-14,20-21H,1,8,12,15-18H2,2-6H3/t20-,21-/m1/s1.
What are the key properties of benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate has a molecular weight of 403.64 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 11246675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).