tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine

C48H101N9O11 — CID 159578613

About tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine

tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine (PubChem CID 159578613) has the molecular formula C48H101N9O11 and a molecular weight of 980.39 g/mol. Its IUPAC name is tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine.

Molecular Properties

• Compound Name: tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine
• PubChem CID: 159578613
• Molecular Formula: C48H101N9O11
• Molecular Weight: 980.39 g/mol
• Exact Mass: 979.76
• IUPAC Name: tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine
• SMILES: C.C.C.C.C.C1COCCN1.CC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCOCC1.CC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)O.CC1CNCCN1CC(=O)N1CCOCC1
• InChI: InChI=1S/C16H29N3O4.C12H22N2O4.C11H21N3O2.C4H9NO.5CH4/c1-13-11-19(15(21)23-16(2,3)4)6-5-18(13)12-14(20)17-7-9-22-10-8-17;1-9-7-14(11(17)18-12(2,3)4)6-5-13(9)8-10(15)16;1-10-8-12-2-3-14(10)9-11(15)13-4-6-16-7-5-13;1-3-6-4-2-5-1;;;;;/h13H,5-12H2,1-4H3;9H,5-8H2,1-4H3,(H,15,16);10,12H,2-9H2,1H3;5H,1-4H2;5*1H4
• InChIKey: MISLAYANXSZEEX-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 198.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	980.39
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine?

The IUPAC name of tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine (CID 159578613) is tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine.

What is the SMILES notation for tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine?

The canonical SMILES for tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine is C.C.C.C.C.C1COCCN1.CC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCOCC1.CC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)O.CC1CNCCN1CC(=O)N1CCOCC1.

What is the InChIKey of tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine?

The InChIKey is MISLAYANXSZEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4.C12H22N2O4.C11H21N3O2.C4H9NO.5CH4/c1-13-11-19(15(21)23-16(2,3)4)6-5-18(13)12-14(20)17-7-9-22-10-8-17;1-9-7-14(11(17)18-12(2,3)4)6-5-13(9)8-10(15)16;1-10-8-12-2-3-14(10)9-11(15)13-4-6-16-7-5-13;1-3-6-4-2-5-1;;;;;/h13H,5-12H2,1-4H3;9H,5-8H2,1-4H3,(H,15,16);10,12H,2-9H2,1H3;5H,1-4H2;5*1H4.

What are the key properties of tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine?

tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine has a molecular weight of 980.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine is sourced from PubChem (CID 159578613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).