1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine

C239H476N24O8 — CID 159632963

IUPAC1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine
SMILESCC(C)(C)CCC1CCN(CC(C)(C)C)CC1.CC(C)(C)CCC1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCCN1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)CCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2C[C@@H]3C[C@H]2CN3C(C)(C)C)CC1.CC(C)(C)CCN1CCC(CN2C[C@H]3C[C@@H]2CN3C(C)(C)C)CC1.CC(C)(C)N1CCN(CCOC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCC1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(CC1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C
InChIInChI=1S/C22H43NO.2C21H41N3.C21H42N2O.2C21H42N2.2C20H40N2O.C20H39NO2.C18H37N3O.C18H36N2O.C16H33N/c1-17(15-21(2,3)4)12-18-8-10-23(11-9-18)16-19-13-20(14-19)24-22(5,6)7;2*1-20(2,3)9-12-22-10-7-17(8-11-22)14-23-15-19-13-18(23)16-24(19)21(4,5)6;1-17(14-20(2,3)4)15-22-8-10-23(11-9-22)16-18-12-19(13-18)24-21(5,6)7;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)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)18-9-13-21(14-10-18)15-17-7-11-22(12-8-17)16-23-20(4,5)6;1-19(2,3)8-7-9-21-10-12-22(13-11-21)16-17-14-18(15-17)23-20(4,5)6;1-19(2,3)22-12-9-16-7-10-21(11-8-16)15-17-13-18(14-17)23-20(4,5)6;1-17(2,3)20-11-9-19(10-12-20)13-14-22-16-7-8-21(15-16)18(4,5)6;1-17(2,3)20-11-7-15(8-12-20)13-19-10-9-16(14-19)21-18(4,5)6;1-15(2,3)10-7-14-8-11-17(12-9-14)13-16(4,5)6/h17-20H,8-16H2,1-7H3;2*17-19H,7-16H2,1-6H3;17-19H,8-16H2,1-7H3;2*18-19H,7-17H2,1-6H3;2*17-18H,7-16H2,1-6H3;16-18H,7-15H2,1-6H3;16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14H,7-13H2,1-6H3/t;2*18-,19-;;;;;;;;;/m.10........./s1
InChIKeyMPJCTMVBZYMNGP-VVMLBCHNSA-N
MW3814.60 g/mol
LogP50.33
Rot. Bonds54

About 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine

1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine (PubChem CID 159632963) has the molecular formula C239H476N24O8 and a molecular weight of 3814.60 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine
PubChem CID159632963
Molecular FormulaC239H476N24O8
Molecular Weight3814.60 g/mol
Exact Mass3811.76
IUPAC Name1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine
SMILESCC(C)(C)CCC1CCN(CC(C)(C)C)CC1.CC(C)(C)CCC1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCCN1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)CCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2C[C@@H]3C[C@H]2CN3C(C)(C)C)CC1.CC(C)(C)CCN1CCC(CN2C[C@H]3C[C@@H]2CN3C(C)(C)C)CC1.CC(C)(C)N1CCN(CCOC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCC1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(CC1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C
InChIInChI=1S/C22H43NO.2C21H41N3.C21H42N2O.2C21H42N2.2C20H40N2O.C20H39NO2.C18H37N3O.C18H36N2O.C16H33N/c1-17(15-21(2,3)4)12-18-8-10-23(11-9-18)16-19-13-20(14-19)24-22(5,6)7;2*1-20(2,3)9-12-22-10-7-17(8-11-22)14-23-15-19-13-18(23)16-24(19)21(4,5)6;1-17(14-20(2,3)4)15-22-8-10-23(11-9-22)16-18-12-19(13-18)24-21(5,6)7;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)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)18-9-13-21(14-10-18)15-17-7-11-22(12-8-17)16-23-20(4,5)6;1-19(2,3)8-7-9-21-10-12-22(13-11-21)16-17-14-18(15-17)23-20(4,5)6;1-19(2,3)22-12-9-16-7-10-21(11-8-16)15-17-13-18(14-17)23-20(4,5)6;1-17(2,3)20-11-9-19(10-12-20)13-14-22-16-7-8-21(15-16)18(4,5)6;1-17(2,3)20-11-7-15(8-12-20)13-19-10-9-16(14-19)21-18(4,5)6;1-15(2,3)10-7-14-8-11-17(12-9-14)13-16(4,5)6/h17-20H,8-16H2,1-7H3;2*17-19H,7-16H2,1-6H3;17-19H,8-16H2,1-7H3;2*18-19H,7-17H2,1-6H3;2*17-18H,7-16H2,1-6H3;16-18H,7-15H2,1-6H3;16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14H,7-13H2,1-6H3/t;2*18-,19-;;;;;;;;;/m.10........./s1
InChIKeyMPJCTMVBZYMNGP-VVMLBCHNSA-N
XLogP50.33
TPSA151.60 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds54
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003814.60
LogP ≤ 550.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine?
The IUPAC name of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine (CID 159632963) is 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine is CC(C)(C)CCC1CCN(CC(C)(C)C)CC1.CC(C)(C)CCC1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCCN1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)CCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2C[C@@H]3C[C@H]2CN3C(C)(C)C)CC1.CC(C)(C)CCN1CCC(CN2C[C@H]3C[C@@H]2CN3C(C)(C)C)CC1.CC(C)(C)N1CCN(CCOC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCC1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(CC1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)CC(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine?
The InChIKey is MPJCTMVBZYMNGP-VVMLBCHNSA-N. The full InChI is InChI=1S/C22H43NO.2C21H41N3.C21H42N2O.2C21H42N2.2C20H40N2O.C20H39NO2.C18H37N3O.C18H36N2O.C16H33N/c1-17(15-21(2,3)4)12-18-8-10-23(11-9-18)16-19-13-20(14-19)24-22(5,6)7;2*1-20(2,3)9-12-22-10-7-17(8-11-22)14-23-15-19-13-18(23)16-24(19)21(4,5)6;1-17(14-20(2,3)4)15-22-8-10-23(11-9-22)16-18-12-19(13-18)24-21(5,6)7;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)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)18-9-13-21(14-10-18)15-17-7-11-22(12-8-17)16-23-20(4,5)6;1-19(2,3)8-7-9-21-10-12-22(13-11-21)16-17-14-18(15-17)23-20(4,5)6;1-19(2,3)22-12-9-16-7-10-21(11-8-16)15-17-13-18(14-17)23-20(4,5)6;1-17(2,3)20-11-9-19(10-12-20)13-14-22-16-7-8-21(15-16)18(4,5)6;1-17(2,3)20-11-7-15(8-12-20)13-19-10-9-16(14-19)21-18(4,5)6;1-15(2,3)10-7-14-8-11-17(12-9-14)13-16(4,5)6/h17-20H,8-16H2,1-7H3;2*17-19H,7-16H2,1-6H3;17-19H,8-16H2,1-7H3;2*18-19H,7-17H2,1-6H3;2*17-18H,7-16H2,1-6H3;16-18H,7-15H2,1-6H3;16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14H,7-13H2,1-6H3/t;2*18-,19-;;;;;;;;;/m.10........./s1.
What are the key properties of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine?
1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine has a molecular weight of 3814.60 g/mol, XLogP of 50.33, 54 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperidine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;4-(3,3-dimethylbutyl)-1-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-(2,4,4-trimethylpentyl)piperidine is sourced from PubChem (CID 159632963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).