tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate

C17H33N3O4 — CID 90102373

IUPACtert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
SMILESCOCC1COCCN1C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1
InChIInChI=1S/C17H33N3O4/c1-13-8-18-14(10-20(13)16(21)24-17(2,3)4)9-19-6-7-23-12-15(19)11-22-5/h13-15,18H,6-12H2,1-5H3/t13-,14+,15?/m1/s1
InChIKeyIDGJYRBIPWCAES-GNXJLENFSA-N
MW343.47 g/mol
LogP0.93
Rot. Bonds4

About tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate

tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate (PubChem CID 90102373) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
PubChem CID90102373
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Nametert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
SMILESCOCC1COCCN1C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1
InChIInChI=1S/C17H33N3O4/c1-13-8-18-14(10-20(13)16(21)24-17(2,3)4)9-19-6-7-23-12-15(19)11-22-5/h13-15,18H,6-12H2,1-5H3/t13-,14+,15?/m1/s1
InChIKeyIDGJYRBIPWCAES-GNXJLENFSA-N
XLogP0.93
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tert-butyl 3-((methylamino)methyl)morpholine-4-carboxylate
CID 67090612
(2R,5S)-tert-butyl 2-methyl-5-(((R)-3-methylmorpholino)methyl)piperazine-1-carboxylate
CID 70980298
tert-butyl (2R,5S)-5-[[(3S)-3-(difluoromethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 163469433
(1-Methyl-2-morpholin-4-yl-ethyl)-carbamic acid tert-butyl ester
CID 15326463
t-butyl N-(2-morpholinopropyl)carbamate
CID 18948440
Tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate
CID 23078616
Tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate
CID 23079694
tert-Butyl 3-oxa-7,9-diazabicyclo(3.3.1)nonane-7-carboxylate
CID 53415349
tert-butyl (2S)-2-(piperazin-1-ylmethyl)morpholine-4-carboxylate
CID 57656721
Ethyl([1,4']bipiperidinyl-4-yl-tert-butoxycarbonyl-amino)-acetate
CID 57807378
(R)-N-Boc-1-morpholino-2-propanamine
CID 57851166
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate (CID 90102373) is tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate is COCC1COCCN1C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1.
What is the InChIKey of tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate?
The InChIKey is IDGJYRBIPWCAES-GNXJLENFSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-13-8-18-14(10-20(13)16(21)24-17(2,3)4)9-19-6-7-23-12-15(19)11-22-5/h13-15,18H,6-12H2,1-5H3/t13-,14+,15?/m1/s1.
What are the key properties of tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate?
tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate has a molecular weight of 343.47 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 90102373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).