1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine

C187H358N26O10 — CID 165043414

IUPAC1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine
SMILESCC(C)(C)CCC1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OC1CC(OCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCc1ccc(OC(C)(C)C)cn1.CC(C)(C)OCCN1CC(COc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)OCCN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCN(c2ccc(OC(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C21H43N3.C21H42N2.C20H40N2O.C19H33N3O2.C19H39N3.C18H32N4O.C18H31N3O2.C18H37N3.C17H34N2O2.C16H27NO2/c1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-20(2,3)12-7-18-8-13-22(14-9-18)17-19-10-15-23(16-11-19)21(4,5)6;1-19(2,3)17-7-13-22(14-8-17)18-9-11-21(12-10-18)15-16-23-20(4,5)6;1-18(2,3)23-14-13-21-9-11-22(12-10-21)17-8-7-16(15-20-17)24-19(4,5)6;1-18(2,3)8-7-9-21-15-17(16-21)14-20-10-12-22(13-11-20)19(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)15-9-20-16(10-19-15)22-13-14-11-21(12-14)7-8-23-18(4,5)6;1-17(2,3)7-8-20-14-16(15-20)13-19-9-11-21(12-10-19)18(4,5)6;1-16(2,3)19-9-7-18(8-10-19)13-20-14-11-15(12-14)21-17(4,5)6;1-15(2,3)18-11-7-8-13-9-10-14(12-17-13)19-16(4,5)6/h19H,7-18H2,1-6H3;18-19H,7-17H2,1-6H3;17-18H,7-16H2,1-6H3;7-8,15H,9-14H2,1-6H3;17H,7-16H2,1-6H3;13-14H,7-12H2,1-6H3;9-10,14H,7-8,11-13H2,1-6H3;16H,7-15H2,1-6H3;14-15H,7-13H2,1-6H3;9-10,12H,7-8,11H2,1-6H3
InChIKeyOMUVJHYMRQGBSF-UHFFFAOYSA-N
MW3131.09 g/mol
LogP34.47
Rot. Bonds45

About 1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine

1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine (PubChem CID 165043414) has the molecular formula C187H358N26O10 and a molecular weight of 3131.09 g/mol. Its IUPAC name is 1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine.

Molecular Properties

Compound Name1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine
PubChem CID165043414
Molecular FormulaC187H358N26O10
Molecular Weight3131.09 g/mol
Exact Mass3128.83
IUPAC Name1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine
SMILESCC(C)(C)CCC1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OC1CC(OCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCc1ccc(OC(C)(C)C)cn1.CC(C)(C)OCCN1CC(COc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)OCCN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCN(c2ccc(OC(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C21H43N3.C21H42N2.C20H40N2O.C19H33N3O2.C19H39N3.C18H32N4O.C18H31N3O2.C18H37N3.C17H34N2O2.C16H27NO2/c1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-20(2,3)12-7-18-8-13-22(14-9-18)17-19-10-15-23(16-11-19)21(4,5)6;1-19(2,3)17-7-13-22(14-8-17)18-9-11-21(12-10-18)15-16-23-20(4,5)6;1-18(2,3)23-14-13-21-9-11-22(12-10-21)17-8-7-16(15-20-17)24-19(4,5)6;1-18(2,3)8-7-9-21-15-17(16-21)14-20-10-12-22(13-11-20)19(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)15-9-20-16(10-19-15)22-13-14-11-21(12-14)7-8-23-18(4,5)6;1-17(2,3)7-8-20-14-16(15-20)13-19-9-11-21(12-10-19)18(4,5)6;1-16(2,3)19-9-7-18(8-10-19)13-20-14-11-15(12-14)21-17(4,5)6;1-15(2,3)18-11-7-8-13-9-10-14(12-17-13)19-16(4,5)6/h19H,7-18H2,1-6H3;18-19H,7-17H2,1-6H3;17-18H,7-16H2,1-6H3;7-8,15H,9-14H2,1-6H3;17H,7-16H2,1-6H3;13-14H,7-12H2,1-6H3;9-10,14H,7-8,11-13H2,1-6H3;16H,7-15H2,1-6H3;14-15H,7-13H2,1-6H3;9-10,12H,7-8,11H2,1-6H3
InChIKeyOMUVJHYMRQGBSF-UHFFFAOYSA-N
XLogP34.47
TPSA234.44 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds45
Heavy Atoms223
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003131.09
LogP ≤ 534.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine?
The IUPAC name of 1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine (CID 165043414) is 1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine.
What is the SMILES notation for 1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine?
The canonical SMILES for 1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine is CC(C)(C)CCC1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OC1CC(OCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCc1ccc(OC(C)(C)C)cn1.CC(C)(C)OCCN1CC(COc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)OCCN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCN(c2ccc(OC(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.
What is the InChIKey of 1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine?
The InChIKey is OMUVJHYMRQGBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3.C21H42N2.C20H40N2O.C19H33N3O2.C19H39N3.C18H32N4O.C18H31N3O2.C18H37N3.C17H34N2O2.C16H27NO2/c1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-20(2,3)12-7-18-8-13-22(14-9-18)17-19-10-15-23(16-11-19)21(4,5)6;1-19(2,3)17-7-13-22(14-8-17)18-9-11-21(12-10-18)15-16-23-20(4,5)6;1-18(2,3)23-14-13-21-9-11-22(12-10-21)17-8-7-16(15-20-17)24-19(4,5)6;1-18(2,3)8-7-9-21-15-17(16-21)14-20-10-12-22(13-11-20)19(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)15-9-20-16(10-19-15)22-13-14-11-21(12-14)7-8-23-18(4,5)6;1-17(2,3)7-8-20-14-16(15-20)13-19-9-11-21(12-10-19)18(4,5)6;1-16(2,3)19-9-7-18(8-10-19)13-20-14-11-15(12-14)21-17(4,5)6;1-15(2,3)18-11-7-8-13-9-10-14(12-17-13)19-16(4,5)6/h19H,7-18H2,1-6H3;18-19H,7-17H2,1-6H3;17-18H,7-16H2,1-6H3;7-8,15H,9-14H2,1-6H3;17H,7-16H2,1-6H3;13-14H,7-12H2,1-6H3;9-10,14H,7-8,11-13H2,1-6H3;16H,7-15H2,1-6H3;14-15H,7-13H2,1-6H3;9-10,12H,7-8,11H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine?
1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine has a molecular weight of 3131.09 g/mol, XLogP of 34.47, 45 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperazine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine is sourced from PubChem (CID 165043414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).