[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate

C119H180N6O17 — CID 159763795

IUPAC[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate
SMILESCCC(=O)OC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1C.CCC1(C)CC(N2C(=O)c3ccc(C(=O)O)cc3C2=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(CC)C(C)C(OC(C)=O)CC(C)(C)N1OC(C)c1ccccc1.CCC1(CC)C(C)C(OC=O)CC(C)(C)N1OC(C)c1ccccc1.CCCC(=O)OC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1C
InChIInChI=1S/C29H36N2O5.C24H39NO3.C23H37NO3.C22H35NO3.C21H33NO3/c1-7-28(5)17-24(30-25(32)22-15-14-21(27(34)35)16-23(22)26(30)33)18(3)29(6,8-2)31(28)36-19(4)20-12-10-9-11-13-20;1-8-14-22(26)27-21-17-23(6,7)25(24(9-2,10-3)18(21)4)28-19(5)20-15-12-11-13-16-20;1-8-21(25)26-20-16-22(6,7)24(23(9-2,10-3)17(20)4)27-18(5)19-14-12-11-13-15-19;1-8-22(9-2)16(3)20(25-18(5)24)15-21(6,7)23(22)26-17(4)19-13-11-10-12-14-19;1-7-21(8-2)16(3)19(24-15-23)14-20(5,6)22(21)25-17(4)18-12-10-9-11-13-18/h9-16,18-19,24H,7-8,17H2,1-6H3,(H,34,35);11-13,15-16,18-19,21H,8-10,14,17H2,1-7H3;11-15,17-18,20H,8-10,16H2,1-7H3;10-14,16-17,20H,8-9,15H2,1-7H3;9-13,15-17,19H,7-8,14H2,1-6H3
InChIKeyNFFVKUDWIYGVAM-UHFFFAOYSA-N
MW1966.77 g/mol
LogP27.66
Rot. Bonds35

About [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate

[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate (PubChem CID 159763795) has the molecular formula C119H180N6O17 and a molecular weight of 1966.77 g/mol. Its IUPAC name is [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate.

Molecular Properties

Compound Name[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate
PubChem CID159763795
Molecular FormulaC119H180N6O17
Molecular Weight1966.77 g/mol
Exact Mass1965.34
IUPAC Name[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate
SMILESCCC(=O)OC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1C.CCC1(C)CC(N2C(=O)c3ccc(C(=O)O)cc3C2=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(CC)C(C)C(OC(C)=O)CC(C)(C)N1OC(C)c1ccccc1.CCC1(CC)C(C)C(OC=O)CC(C)(C)N1OC(C)c1ccccc1.CCCC(=O)OC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1C
InChIInChI=1S/C29H36N2O5.C24H39NO3.C23H37NO3.C22H35NO3.C21H33NO3/c1-7-28(5)17-24(30-25(32)22-15-14-21(27(34)35)16-23(22)26(30)33)18(3)29(6,8-2)31(28)36-19(4)20-12-10-9-11-13-20;1-8-14-22(26)27-21-17-23(6,7)25(24(9-2,10-3)18(21)4)28-19(5)20-15-12-11-13-16-20;1-8-21(25)26-20-16-22(6,7)24(23(9-2,10-3)17(20)4)27-18(5)19-14-12-11-13-15-19;1-8-22(9-2)16(3)20(25-18(5)24)15-21(6,7)23(22)26-17(4)19-13-11-10-12-14-19;1-7-21(8-2)16(3)19(24-15-23)14-20(5,6)22(21)25-17(4)18-12-10-9-11-13-18/h9-16,18-19,24H,7-8,17H2,1-6H3,(H,34,35);11-13,15-16,18-19,21H,8-10,14,17H2,1-7H3;11-15,17-18,20H,8-10,16H2,1-7H3;10-14,16-17,20H,8-9,15H2,1-7H3;9-13,15-17,19H,7-8,14H2,1-6H3
InChIKeyNFFVKUDWIYGVAM-UHFFFAOYSA-N
XLogP27.66
TPSA242.23 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds35
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001966.77
LogP ≤ 527.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate?
The IUPAC name of [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate (CID 159763795) is [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate.
What is the SMILES notation for [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate?
The canonical SMILES for [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate is CCC(=O)OC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1C.CCC1(C)CC(N2C(=O)c3ccc(C(=O)O)cc3C2=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(CC)C(C)C(OC(C)=O)CC(C)(C)N1OC(C)c1ccccc1.CCC1(CC)C(C)C(OC=O)CC(C)(C)N1OC(C)c1ccccc1.CCCC(=O)OC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1C.
What is the InChIKey of [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate?
The InChIKey is NFFVKUDWIYGVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O5.C24H39NO3.C23H37NO3.C22H35NO3.C21H33NO3/c1-7-28(5)17-24(30-25(32)22-15-14-21(27(34)35)16-23(22)26(30)33)18(3)29(6,8-2)31(28)36-19(4)20-12-10-9-11-13-20;1-8-14-22(26)27-21-17-23(6,7)25(24(9-2,10-3)18(21)4)28-19(5)20-15-12-11-13-16-20;1-8-21(25)26-20-16-22(6,7)24(23(9-2,10-3)17(20)4)27-18(5)19-14-12-11-13-15-19;1-8-22(9-2)16(3)20(25-18(5)24)15-21(6,7)23(22)26-17(4)19-13-11-10-12-14-19;1-7-21(8-2)16(3)19(24-15-23)14-20(5,6)22(21)25-17(4)18-12-10-9-11-13-18/h9-16,18-19,24H,7-8,17H2,1-6H3,(H,34,35);11-13,15-16,18-19,21H,8-10,14,17H2,1-7H3;11-15,17-18,20H,8-10,16H2,1-7H3;10-14,16-17,20H,8-9,15H2,1-7H3;9-13,15-17,19H,7-8,14H2,1-6H3.
What are the key properties of [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate?
[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate has a molecular weight of 1966.77 g/mol, XLogP of 27.66, 35 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] butanoate;2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxylic acid;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] formate;[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] propanoate is sourced from PubChem (CID 159763795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).