tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate

C15H32N2O3Si — CID 162353748

IUPACtert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H32N2O3Si/c1-14(2,3)19-13(18)17-10-9-16-12(11-17)20-21(7,8)15(4,5)6/h12,16H,9-11H2,1-8H3/t12-/m0/s1
InChIKeyDBASEWZPFCIZDB-LBPRGKRZSA-N
MW316.52 g/mol
LogP3.17
Rot. Bonds2

About tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate

tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate (PubChem CID 162353748) has the molecular formula C15H32N2O3Si and a molecular weight of 316.52 g/mol. Its IUPAC name is tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate
PubChem CID162353748
Molecular FormulaC15H32N2O3Si
Molecular Weight316.52 g/mol
Exact Mass316.22
IUPAC Nametert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H32N2O3Si/c1-14(2,3)19-13(18)17-10-9-16-12(11-17)20-21(7,8)15(4,5)6/h12,16H,9-11H2,1-8H3/t12-/m0/s1
InChIKeyDBASEWZPFCIZDB-LBPRGKRZSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.52
LogP ≤ 53.17
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 3-formyloxypiperazine-1-carboxylate
CID 129303164
tert-butyl 3-tert-butylpiperazine-1-carboxylate;hydrochloride
CID 57355298
tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355
tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
CID 24820292
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768
tert-butyl (3S)-3-ethynylpiperazine-1-carboxylate
CID 154550884
tert-butyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 129407130
tert-butyl (3S)-3-methylpiperazine-1-carboxylate;N,N-diethylethanamine
CID 159911213
tert-butyl (3R)-3-methylpiperazine-1-carboxylate;N,N-diethylethanamine
CID 159911212
tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate
CID 83853732
tert-butyl 3-(2-hydroxyethyl)piperazine-1-carboxylate
CID 53407692
tert-butyl 3-amino-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 171756063

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate (CID 162353748) is tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate?
The InChIKey is DBASEWZPFCIZDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H32N2O3Si/c1-14(2,3)19-13(18)17-10-9-16-12(11-17)20-21(7,8)15(4,5)6/h12,16H,9-11H2,1-8H3/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate?
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate has a molecular weight of 316.52 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate is sourced from PubChem (CID 162353748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).