tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate

C19H37N3O4 — CID 167526941

IUPACtert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate
SMILESCC(C)OC[C@@H]1COCCN1C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1
InChIInChI=1S/C19H37N3O4/c1-14(2)25-13-17-12-24-8-7-21(17)10-16-11-22(15(3)9-20-16)18(23)26-19(4,5)6/h14-17,20H,7-13H2,1-6H3/t15-,16+,17+/m1/s1
InChIKeyMDQFINGPJYICCT-IKGGRYGDSA-N
MW371.52 g/mol
LogP1.71
Rot. Bonds5

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

tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate (PubChem CID 167526941) has the molecular formula C19H37N3O4 and a molecular weight of 371.52 g/mol. Its IUPAC name is tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate
PubChem CID167526941
Molecular FormulaC19H37N3O4
Molecular Weight371.52 g/mol
Exact Mass371.28
IUPAC Nametert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate
SMILESCC(C)OC[C@@H]1COCCN1C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1
InChIInChI=1S/C19H37N3O4/c1-14(2)25-13-17-12-24-8-7-21(17)10-16-11-22(15(3)9-20-16)18(23)26-19(4,5)6/h14-17,20H,7-13H2,1-6H3/t15-,16+,17+/m1/s1
InChIKeyMDQFINGPJYICCT-IKGGRYGDSA-N
XLogP1.71
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl (2R)-5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
CID 175579571
tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate
CID 134791338
tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate
CID 134168093
tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate
CID 123813645
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine
CID 159531809
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate
CID 156757894
2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate (CID 167526941) is tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate is CC(C)OC[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)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate?
The InChIKey is MDQFINGPJYICCT-IKGGRYGDSA-N. The full InChI is InChI=1S/C19H37N3O4/c1-14(2)25-13-17-12-24-8-7-21(17)10-16-11-22(15(3)9-20-16)18(23)26-19(4,5)6/h14-17,20H,7-13H2,1-6H3/t15-,16+,17+/m1/s1.
What are the key properties of tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate?
tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate has a molecular weight of 371.52 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 167526941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).