tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate

C18H38N2O3Si — CID 58007307

IUPACtert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38N2O3Si/c1-15-14-20(16(21)23-17(2,3)4)11-10-19(15)12-13-22-24(8,9)18(5,6)7/h15H,10-14H2,1-9H3/t15-/m1/s1
InChIKeyFTCQSPROSYOEFS-OAHLLOKOSA-N
MW358.60 g/mol
LogP3.95
Rot. Bonds4

About tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate

tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate (PubChem CID 58007307) has the molecular formula C18H38N2O3Si and a molecular weight of 358.60 g/mol. Its IUPAC name is tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate
PubChem CID58007307
Molecular FormulaC18H38N2O3Si
Molecular Weight358.60 g/mol
Exact Mass358.27
IUPAC Nametert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38N2O3Si/c1-15-14-20(16(21)23-17(2,3)4)11-10-19(15)12-13-22-24(8,9)18(5,6)7/h15H,10-14H2,1-9H3/t15-/m1/s1
InChIKeyFTCQSPROSYOEFS-OAHLLOKOSA-N
XLogP3.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S)-4-(3-hydroxypropyl)-3-methylpiperazine-1-carboxylate
CID 58007390
tert-butyl (3S)-3-methyl-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 177302136
tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate
CID 58735548
tert-butyl (3S)-4-(4-hydroxybutyl)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methyl-4-(4-oxobutyl)piperazine-1-carboxylate
CID 157063103
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropiperidine-1-carboxylate
CID 175554462
tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 156832842
tert-butyl 3-methyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
CID 71635020
tert-butyl (3R)-3-methyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
CID 97177200
tert-butyl (3S)-4-[3-(2-iodophenoxy)propyl]-3-methylpiperazine-1-carboxylate
CID 170456420
tert-butyl 3-methyl-4-(1,3-thiazol-5-ylmethyl)piperazine-1-carboxylate
CID 71635021
tert-butyl (3S)-4-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperazine-1-carboxylate
CID 86329381
tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 166071441

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate (CID 58007307) is tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate is C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate?
The InChIKey is FTCQSPROSYOEFS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H38N2O3Si/c1-15-14-20(16(21)23-17(2,3)4)11-10-19(15)12-13-22-24(8,9)18(5,6)7/h15H,10-14H2,1-9H3/t15-/m1/s1.
What are the key properties of tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate?
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate has a molecular weight of 358.60 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 58007307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).