1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate

C52H79N3O8 — CID 158307203

IUPAC1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate
SMILESCC(ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C)c1ccccc1.COC1CC(C)(C)N(OC)C(C)(C)C1.CON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C24H31NO3.C17H25NO3.C11H23NO2/c1-18(19-12-8-6-9-13-19)28-25-23(2,3)16-21(17-24(25,4)5)27-22(26)20-14-10-7-11-15-20;1-16(2)11-14(12-17(3,4)18(16)20-5)21-15(19)13-9-7-6-8-10-13;1-10(2)7-9(13-5)8-11(3,4)12(10)14-6/h6-15,18,21H,16-17H2,1-5H3;6-10,14H,11-12H2,1-5H3;9H,7-8H2,1-6H3
InChIKeyGNFMNSGYTPRXBB-UHFFFAOYSA-N
MW874.22 g/mol
LogP11.20
Rot. Bonds10

About 1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate

1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate (PubChem CID 158307203) has the molecular formula C52H79N3O8 and a molecular weight of 874.22 g/mol. Its IUPAC name is 1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate.

Molecular Properties

Compound Name1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate
PubChem CID158307203
Molecular FormulaC52H79N3O8
Molecular Weight874.22 g/mol
Exact Mass873.59
IUPAC Name1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate
SMILESCC(ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C)c1ccccc1.COC1CC(C)(C)N(OC)C(C)(C)C1.CON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C24H31NO3.C17H25NO3.C11H23NO2/c1-18(19-12-8-6-9-13-19)28-25-23(2,3)16-21(17-24(25,4)5)27-22(26)20-14-10-7-11-15-20;1-16(2)11-14(12-17(3,4)18(16)20-5)21-15(19)13-9-7-6-8-10-13;1-10(2)7-9(13-5)8-11(3,4)12(10)14-6/h6-15,18,21H,16-17H2,1-5H3;6-10,14H,11-12H2,1-5H3;9H,7-8H2,1-6H3
InChIKeyGNFMNSGYTPRXBB-UHFFFAOYSA-N
XLogP11.20
TPSA99.24 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500874.22
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate with MolForge

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Related Compounds

bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate
CID 20771162
[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate
CID 101204019
[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 67852784
[1-(2,2-dimethylpropanoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 22182242
4-O-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] 1-O-methyl but-2-enedioate
CID 69411574
tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite
CID 54125950
[1-[7-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 57063329
4-ethoxy-2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
CID 89097657
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] tridecanoate
CID 21361323
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] undecanoate
CID 21361324
2,2,6,6-tetramethyl-4-nitroso-1-(1-phenylethoxy)piperidine
CID 91502421
[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] heptanoate
CID 21361369

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate?
The IUPAC name of 1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate (CID 158307203) is 1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate.
What is the SMILES notation for 1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate?
The canonical SMILES for 1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate is CC(ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C)c1ccccc1.COC1CC(C)(C)N(OC)C(C)(C)C1.CON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C.
What is the InChIKey of 1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate?
The InChIKey is GNFMNSGYTPRXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3.C17H25NO3.C11H23NO2/c1-18(19-12-8-6-9-13-19)28-25-23(2,3)16-21(17-24(25,4)5)27-22(26)20-14-10-7-11-15-20;1-16(2)11-14(12-17(3,4)18(16)20-5)21-15(19)13-9-7-6-8-10-13;1-10(2)7-9(13-5)8-11(3,4)12(10)14-6/h6-15,18,21H,16-17H2,1-5H3;6-10,14H,11-12H2,1-5H3;9H,7-8H2,1-6H3.
What are the key properties of 1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate?
1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate has a molecular weight of 874.22 g/mol, XLogP of 11.20, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate is sourced from PubChem (CID 158307203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).