3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone

C233H465N27O12 — CID 162244969

IUPAC3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone
SMILESCC(C)(C)CC(=O)CCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)NCCOCCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C23H45N3O.3C22H43N3O.C21H39NO3.C20H40N4O.C20H39NO2.C18H37N.C17H35N3O2.C17H35N.C16H34N2.C15H32N2/c1-21(2,3)9-8-12-24-15-17-25(18-16-24)19-20(27)26-13-10-23(7,11-14-26)22(4,5)6;1-20(2,3)8-11-23-14-16-24(17-15-23)18-19(26)25-12-9-22(7,10-13-25)21(4,5)6;2*1-20(2,3)22(7)10-13-24(14-11-22)19(26)9-8-12-23-15-17-25(18-16-23)21(4,5)6;1-19(2,3)16-17(23)8-14-25-15-9-18(24)22-12-10-21(7,11-13-22)20(4,5)6;1-19(2,3)7-8-21-9-11-22(12-10-21)17-18(25)23-13-15-24(16-14-23)20(4,5)6;1-18(2,3)10-8-15-23-16-9-17(22)21-13-11-20(7,12-14-21)19(4,5)6;1-16(2,3)10-8-9-13-19-14-11-18(7,12-15-19)17(4,5)6;1-16(2,3)18-8-14-22-13-7-15(21)19-9-11-20(12-10-19)17(4,5)6;1-15(2,3)9-8-12-18-13-10-17(7,11-14-18)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6/h8-19H2,1-7H3;3*8-18H2,1-7H3;8-16H2,1-7H3;7-17H2,1-6H3;8-16H2,1-7H3;8-15H2,1-7H3;18H,7-14H2,1-6H3;8-14H2,1-7H3;7-14H2,1-6H3;7-13H2,1-6H3
InChIKeyZXFBXEIWPGUJCB-UHFFFAOYSA-N
MW3837.46 g/mol
LogP45.76
Rot. Bonds54

About 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone

3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone (PubChem CID 162244969) has the molecular formula C233H465N27O12 and a molecular weight of 3837.46 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone
PubChem CID162244969
Molecular FormulaC233H465N27O12
Molecular Weight3837.46 g/mol
Exact Mass3834.66
IUPAC Name3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone
SMILESCC(C)(C)CC(=O)CCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)NCCOCCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C23H45N3O.3C22H43N3O.C21H39NO3.C20H40N4O.C20H39NO2.C18H37N.C17H35N3O2.C17H35N.C16H34N2.C15H32N2/c1-21(2,3)9-8-12-24-15-17-25(18-16-24)19-20(27)26-13-10-23(7,11-14-26)22(4,5)6;1-20(2,3)8-11-23-14-16-24(17-15-23)18-19(26)25-12-9-22(7,10-13-25)21(4,5)6;2*1-20(2,3)22(7)10-13-24(14-11-22)19(26)9-8-12-23-15-17-25(18-16-23)21(4,5)6;1-19(2,3)16-17(23)8-14-25-15-9-18(24)22-12-10-21(7,11-13-22)20(4,5)6;1-19(2,3)7-8-21-9-11-22(12-10-21)17-18(25)23-13-15-24(16-14-23)20(4,5)6;1-18(2,3)10-8-15-23-16-9-17(22)21-13-11-20(7,12-14-21)19(4,5)6;1-16(2,3)10-8-9-13-19-14-11-18(7,12-15-19)17(4,5)6;1-16(2,3)18-8-14-22-13-7-15(21)19-9-11-20(12-10-19)17(4,5)6;1-15(2,3)9-8-12-18-13-10-17(7,11-14-18)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6/h8-19H2,1-7H3;3*8-18H2,1-7H3;8-16H2,1-7H3;7-17H2,1-6H3;8-16H2,1-7H3;8-15H2,1-7H3;18H,7-14H2,1-6H3;8-14H2,1-7H3;7-14H2,1-6H3;7-13H2,1-6H3
InChIKeyZXFBXEIWPGUJCB-UHFFFAOYSA-N
XLogP45.76
TPSA277.59 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds54
Heavy Atoms272
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003837.46
LogP ≤ 545.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone?
The IUPAC name of 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone (CID 162244969) is 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone?
The canonical SMILES for 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone is CC(C)(C)CC(=O)CCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)NCCOCCC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone?
The InChIKey is ZXFBXEIWPGUJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O.3C22H43N3O.C21H39NO3.C20H40N4O.C20H39NO2.C18H37N.C17H35N3O2.C17H35N.C16H34N2.C15H32N2/c1-21(2,3)9-8-12-24-15-17-25(18-16-24)19-20(27)26-13-10-23(7,11-14-26)22(4,5)6;1-20(2,3)8-11-23-14-16-24(17-15-23)18-19(26)25-12-9-22(7,10-13-25)21(4,5)6;2*1-20(2,3)22(7)10-13-24(14-11-22)19(26)9-8-12-23-15-17-25(18-16-23)21(4,5)6;1-19(2,3)16-17(23)8-14-25-15-9-18(24)22-12-10-21(7,11-13-22)20(4,5)6;1-19(2,3)7-8-21-9-11-22(12-10-21)17-18(25)23-13-15-24(16-14-23)20(4,5)6;1-18(2,3)10-8-15-23-16-9-17(22)21-13-11-20(7,12-14-21)19(4,5)6;1-16(2,3)10-8-9-13-19-14-11-18(7,12-15-19)17(4,5)6;1-16(2,3)18-8-14-22-13-7-15(21)19-9-11-20(12-10-19)17(4,5)6;1-15(2,3)9-8-12-18-13-10-17(7,11-14-18)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6/h8-19H2,1-7H3;3*8-18H2,1-7H3;8-16H2,1-7H3;7-17H2,1-6H3;8-16H2,1-7H3;8-15H2,1-7H3;18H,7-14H2,1-6H3;8-14H2,1-7H3;7-14H2,1-6H3;7-13H2,1-6H3.
What are the key properties of 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone?
3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone has a molecular weight of 3837.46 g/mol, XLogP of 45.76, 54 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one);1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 162244969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).