tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate

C17H36N2O3Si — CID 178167079

IUPACtert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36N2O3Si/c1-15(2,3)22-14(20)19-11-10-18-12-17(19,7)13-21-23(8,9)16(4,5)6/h18H,10-13H2,1-9H3
InChIKeyPBEHVBIXDHKVFY-UHFFFAOYSA-N
MW344.57 g/mol
LogP3.61
Rot. Bonds3

About tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate

tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate (PubChem CID 178167079) has the molecular formula C17H36N2O3Si and a molecular weight of 344.57 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate
PubChem CID178167079
Molecular FormulaC17H36N2O3Si
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Nametert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36N2O3Si/c1-15(2,3)22-14(20)19-11-10-18-12-17(19,7)13-21-23(8,9)16(4,5)6/h18H,10-13H2,1-9H3
InChIKeyPBEHVBIXDHKVFY-UHFFFAOYSA-N
XLogP3.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate
CID 86337386
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 69456813
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
CID 134129817
tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate
CID 67773623
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 174039842
3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate
CID 141044506
tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate
CID 141122917
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
CID 118705199
tert-butyl (2R)-2-(hydroxymethyl)-2-methylazepane-1-carboxylate
CID 129462520
tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
CID 141188760
methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate
CID 175400977

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate (CID 178167079) is tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate?
The InChIKey is PBEHVBIXDHKVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O3Si/c1-15(2,3)22-14(20)19-11-10-18-12-17(19,7)13-21-23(8,9)16(4,5)6/h18H,10-13H2,1-9H3.
What are the key properties of tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate?
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate has a molecular weight of 344.57 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 178167079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).