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

C43H81N9O11 — CID 158201420

IUPACtert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine
SMILESC1COCCN1.CC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCOCC1.CC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)O.CC1CNCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C16H29N3O4.C12H22N2O4.C11H21N3O2.C4H9NO/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
InChIKeyGAZFBWZORJZZQP-UHFFFAOYSA-N
MW900.17 g/mol
LogP0.54
Rot. Bonds6

About tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;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;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 158201420) has the molecular formula C43H81N9O11 and a molecular weight of 900.17 g/mol. Its IUPAC name is tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;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 Nametert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;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 CID158201420
Molecular FormulaC43H81N9O11
Molecular Weight900.17 g/mol
Exact Mass899.61
IUPAC Nametert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine
SMILESC1COCCN1.CC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCOCC1.CC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)O.CC1CNCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C16H29N3O4.C12H22N2O4.C11H21N3O2.C4H9NO/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
InChIKeyGAZFBWZORJZZQP-UHFFFAOYSA-N
XLogP0.54
TPSA198.47 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.17
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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

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Related Compounds

tert-butyl 3-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 3-O-methyl morpholine-3,4-dicarboxylate;N,N-dimethylmorpholine-3-carboxamide;methane;N-methylmethanamine;methyl morpholine-3-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydrochloride
CID 165026258
2-[2,6-Bis[[carboxymethyl-[2-[di(morpholin-2-yl)amino]-2-oxoethyl]amino]methyl]piperidin-1-yl]acetic acid
CID 70435871
Tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 157108507
Carbanide;4-(2-hydroxyethyl)-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one
CID 157697625
Tert-butyl 4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)piperazine-1-carboxylate;tert-butyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate;tert-butyl 4-(2-methylbutan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-bromo-2-methylpropanoate;1-(2-methylbutan-2-yl)piperazine
CID 157722745
tert-butyl (3S)-4-(2-ethoxy-2-oxoethyl)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 158435861
tert-butyl (3R)-4-(2-ethoxy-2-oxoethyl)-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;2-[(2R)-2-methylpiperazin-1-yl]ethanol
CID 158435862
Tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;piperazin-2-one;4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 158694915
Tert-butyl 4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazine-1-carboxylate;methane;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;piperazin-2-one;4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 158698652
Tert-butyl 3-methyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]piperazine-1-carboxylate;methane;1-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 158810392
Tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate
CID 159349141
Carbanide;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one
CID 159381038

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;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;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 158201420) is tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;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;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;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 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;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 GAZFBWZORJZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4.C12H22N2O4.C11H21N3O2.C4H9NO/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.
What are the key properties of tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;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;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 900.17 g/mol, XLogP of 0.54, 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;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 158201420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).