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

C17H33N3O4 — CID 90102372

IUPACtert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
SMILESCOC[C@@H]1COCCN1C[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-QLFBSQMISA-N
MW343.47 g/mol
LogP0.93
Rot. Bonds4

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

tert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate (PubChem CID 90102372) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
PubChem CID90102372
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Nametert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
SMILESCOC[C@@H]1COCCN1C[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-QLFBSQMISA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate (CID 90102372) is tert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate is COC[C@@H]1COCCN1C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1.
What is the InChIKey of tert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate?
The InChIKey is IDGJYRBIPWCAES-QLFBSQMISA-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-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate?
tert-butyl (2R,5S)-5-[[(3R)-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-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 90102372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).