1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine

C114H229N11O14 — CID 158355950

IUPAC1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine
SMILESCC(C)(C)CNC(=O)CC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC#CC#CCOC(C)(C)C.CC(C)(C)OCCN1CCC(OCOC(C)(C)C)CC1.CC1CN(C(C)(C)C)CCN1CCOC(C)(C)C.CC1CN(CCOC(C)(C)C)CC(C)N1CCOC(C)(C)C
InChIInChI=1S/C18H38N2O2.C18H36N2O2.C17H35N3O2.C16H33NO3.C16H33NO2.C15H32N2O.C14H22O2/c1-15-13-19(9-11-21-17(3,4)5)14-16(2)20(15)10-12-22-18(6,7)8;1-17(2,3)14-19-16(21)13-15-7-9-20(10-8-15)11-12-22-18(4,5)6;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6;1-15(2,3)19-12-11-17-9-7-14(8-10-17)18-13-20-16(4,5)6;1-15(2,3)13-18-14-7-9-17(10-8-14)11-12-19-16(4,5)6;1-13-12-17(14(2,3)4)9-8-16(13)10-11-18-15(5,6)7;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h15-16H,9-14H2,1-8H3;15H,7-14H2,1-6H3,(H,19,21);7-14H2,1-6H3,(H,18,21);14H,7-13H2,1-6H3;14H,7-13H2,1-6H3;13H,8-12H2,1-7H3;11-12H2,1-6H3
InChIKeyGSWNGPHRVHCZJO-UHFFFAOYSA-N
MW1978.15 g/mol
LogP19.27
Rot. Bonds34

About 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine

1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine (PubChem CID 158355950) has the molecular formula C114H229N11O14 and a molecular weight of 1978.15 g/mol. Its IUPAC name is 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine.

Molecular Properties

Compound Name1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine
PubChem CID158355950
Molecular FormulaC114H229N11O14
Molecular Weight1978.15 g/mol
Exact Mass1976.75
IUPAC Name1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine
SMILESCC(C)(C)CNC(=O)CC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC#CC#CCOC(C)(C)C.CC(C)(C)OCCN1CCC(OCOC(C)(C)C)CC1.CC1CN(C(C)(C)C)CCN1CCOC(C)(C)C.CC1CN(CCOC(C)(C)C)CC(C)N1CCOC(C)(C)C
InChIInChI=1S/C18H38N2O2.C18H36N2O2.C17H35N3O2.C16H33NO3.C16H33NO2.C15H32N2O.C14H22O2/c1-15-13-19(9-11-21-17(3,4)5)14-16(2)20(15)10-12-22-18(6,7)8;1-17(2,3)14-19-16(21)13-15-7-9-20(10-8-15)11-12-22-18(4,5)6;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6;1-15(2,3)19-12-11-17-9-7-14(8-10-17)18-13-20-16(4,5)6;1-15(2,3)13-18-14-7-9-17(10-8-14)11-12-19-16(4,5)6;1-13-12-17(14(2,3)4)9-8-16(13)10-11-18-15(5,6)7;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h15-16H,9-14H2,1-8H3;15H,7-14H2,1-6H3,(H,19,21);7-14H2,1-6H3,(H,18,21);14H,7-13H2,1-6H3;14H,7-13H2,1-6H3;13H,8-12H2,1-7H3;11-12H2,1-6H3
InChIKeyGSWNGPHRVHCZJO-UHFFFAOYSA-N
XLogP19.27
TPSA198.12 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001978.15
LogP ≤ 519.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine?
The IUPAC name of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine (CID 158355950) is 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine.
What is the SMILES notation for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine?
The canonical SMILES for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine is CC(C)(C)CNC(=O)CC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC#CC#CCOC(C)(C)C.CC(C)(C)OCCN1CCC(OCOC(C)(C)C)CC1.CC1CN(C(C)(C)C)CCN1CCOC(C)(C)C.CC1CN(CCOC(C)(C)C)CC(C)N1CCOC(C)(C)C.
What is the InChIKey of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine?
The InChIKey is GSWNGPHRVHCZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2.C18H36N2O2.C17H35N3O2.C16H33NO3.C16H33NO2.C15H32N2O.C14H22O2/c1-15-13-19(9-11-21-17(3,4)5)14-16(2)20(15)10-12-22-18(6,7)8;1-17(2,3)14-19-16(21)13-15-7-9-20(10-8-15)11-12-22-18(4,5)6;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6;1-15(2,3)19-12-11-17-9-7-14(8-10-17)18-13-20-16(4,5)6;1-15(2,3)13-18-14-7-9-17(10-8-14)11-12-19-16(4,5)6;1-13-12-17(14(2,3)4)9-8-16(13)10-11-18-15(5,6)7;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h15-16H,9-14H2,1-8H3;15H,7-14H2,1-6H3,(H,19,21);7-14H2,1-6H3,(H,18,21);14H,7-13H2,1-6H3;14H,7-13H2,1-6H3;13H,8-12H2,1-7H3;11-12H2,1-6H3.
What are the key properties of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine?
1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine has a molecular weight of 1978.15 g/mol, XLogP of 19.27, 34 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]acetamide;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(2-methylpropan-2-yl)oxymethoxy]piperidine is sourced from PubChem (CID 158355950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).