tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate

C17H36N2O3Si — CID 67773623

IUPACtert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36N2O3Si/c1-16(2,3)22-15(20)19-11-10-18-13-14(19)9-12-21-23(7,8)17(4,5)6/h14,18H,9-13H2,1-8H3/t14-/m0/s1
InChIKeyDLAXQJXOYCMEDC-AWEZNQCLSA-N
MW344.57 g/mol
LogP3.61
Rot. Bonds4

About tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate

tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate (PubChem CID 67773623) has the molecular formula C17H36N2O3Si and a molecular weight of 344.57 g/mol. Its IUPAC name is tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate
PubChem CID67773623
Molecular FormulaC17H36N2O3Si
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Nametert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36N2O3Si/c1-16(2,3)22-15(20)19-11-10-18-13-14(19)9-12-21-23(7,8)17(4,5)6/h14,18H,9-13H2,1-8H3/t14-/m0/s1
InChIKeyDLAXQJXOYCMEDC-AWEZNQCLSA-N
XLogP3.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.61
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

tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
CID 45073237
tert-butyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolidine-1-carboxylate
CID 162403149
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068
tert-butyl (2R,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxypiperidine-1-carboxylate
CID 11845978
tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
CID 156743978
tert-butyl (2R)-2-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 164740203
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypiperidine-1-carboxylate
CID 11845979
tert-butyl (2R)-2-[[3-[tert-butyl(dimethyl)silyl]oxy-4-chlorophenyl]methyl]piperazine-1-carboxylate
CID 69422296
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate (CID 67773623) is tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate?
The InChIKey is DLAXQJXOYCMEDC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H36N2O3Si/c1-16(2,3)22-15(20)19-11-10-18-13-14(19)9-12-21-23(7,8)17(4,5)6/h14,18H,9-13H2,1-8H3/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate?
tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate has a molecular weight of 344.57 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate is sourced from PubChem (CID 67773623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).