(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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine

C211H421N23O12 — CID 159187092

IUPAC(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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine
SMILESCC(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)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCC1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCCN1CCN(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)OC(C)(C)C.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C.CC1CN(C(C)(C)C)C(C)CN1COC(C)(C)C.CN1CCC(OCCN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/2C21H41N3.C21H42N2.C21H41NO2.C20H40N2O2.C20H40N2O.C20H39NO2.C19H38N2O2.C18H36N2O.C15H31N3O.C15H32N2O/c2*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;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)21(4,5)6;1-16(23-20(2,3)4)12-17-8-10-22(11-9-17)15-18-13-19(14-18)24-21(5,6)7;1-16(23-19(2,3)4)14-21-8-10-22(11-9-21)15-17-12-18(13-17)24-20(5,6)7;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)22-12-9-16-7-10-21(11-8-16)15-17-13-18(14-17)23-20(4,5)6;1-18(2,3)22-12-11-20-7-9-21(10-8-20)15-16-13-17(14-16)23-19(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)18-9-7-17(8-10-18)11-12-19-14-5-6-16(4)13-14;1-12-10-17(14(3,4)5)13(2)9-16(12)11-18-15(6,7)8/h2*17-19H,7-16H2,1-6H3;18-19H,7-17H2,1-6H3;16-19H,8-15H2,1-7H3;16-18H,8-15H2,1-7H3;17-18H,7-16H2,1-6H3;16-18H,7-15H2,1-6H3;16-17H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14H,5-13H2,1-4H3;12-13H,9-11H2,1-8H3/t2*18-,19-;;;;;;;;;/m10........./s1
InChIKeyKNPVAQUPDLODNH-VRUVPDRVSA-N
MW3472.84 g/mol
LogP39.76
Rot. Bonds49

About (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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine

(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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine (PubChem CID 159187092) has the molecular formula C211H421N23O12 and a molecular weight of 3472.84 g/mol. Its IUPAC name is (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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine.

Molecular Properties

Compound Name(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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine
PubChem CID159187092
Molecular FormulaC211H421N23O12
Molecular Weight3472.84 g/mol
Exact Mass3470.30
IUPAC Name(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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine
SMILESCC(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)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCC1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCCN1CCN(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)OC(C)(C)C.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C.CC1CN(C(C)(C)C)C(C)CN1COC(C)(C)C.CN1CCC(OCCN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/2C21H41N3.C21H42N2.C21H41NO2.C20H40N2O2.C20H40N2O.C20H39NO2.C19H38N2O2.C18H36N2O.C15H31N3O.C15H32N2O/c2*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;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)21(4,5)6;1-16(23-20(2,3)4)12-17-8-10-22(11-9-17)15-18-13-19(14-18)24-21(5,6)7;1-16(23-19(2,3)4)14-21-8-10-22(11-9-21)15-17-12-18(13-17)24-20(5,6)7;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)22-12-9-16-7-10-21(11-8-16)15-17-13-18(14-17)23-20(4,5)6;1-18(2,3)22-12-11-20-7-9-21(10-8-20)15-16-13-17(14-16)23-19(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)18-9-7-17(8-10-18)11-12-19-14-5-6-16(4)13-14;1-12-10-17(14(3,4)5)13(2)9-16(12)11-18-15(6,7)8/h2*17-19H,7-16H2,1-6H3;18-19H,7-17H2,1-6H3;16-19H,8-15H2,1-7H3;16-18H,8-15H2,1-7H3;17-18H,7-16H2,1-6H3;16-18H,7-15H2,1-6H3;16-17H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14H,5-13H2,1-4H3;12-13H,9-11H2,1-8H3/t2*18-,19-;;;;;;;;;/m10........./s1
InChIKeyKNPVAQUPDLODNH-VRUVPDRVSA-N
XLogP39.76
TPSA185.28 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds49
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003472.84
LogP ≤ 539.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze (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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
The IUPAC name of (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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine (CID 159187092) is (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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine.
What is the SMILES notation for (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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
The canonical SMILES for (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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine is 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)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCC1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCCN1CCN(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)OC(C)(C)C.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C.CC1CN(C(C)(C)C)C(C)CN1COC(C)(C)C.CN1CCC(OCCN2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of (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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
The InChIKey is KNPVAQUPDLODNH-VRUVPDRVSA-N. The full InChI is InChI=1S/2C21H41N3.C21H42N2.C21H41NO2.C20H40N2O2.C20H40N2O.C20H39NO2.C19H38N2O2.C18H36N2O.C15H31N3O.C15H32N2O/c2*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;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)21(4,5)6;1-16(23-20(2,3)4)12-17-8-10-22(11-9-17)15-18-13-19(14-18)24-21(5,6)7;1-16(23-19(2,3)4)14-21-8-10-22(11-9-21)15-17-12-18(13-17)24-20(5,6)7;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)22-12-9-16-7-10-21(11-8-16)15-17-13-18(14-17)23-20(4,5)6;1-18(2,3)22-12-11-20-7-9-21(10-8-20)15-16-13-17(14-16)23-19(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)18-9-7-17(8-10-18)11-12-19-14-5-6-16(4)13-14;1-12-10-17(14(3,4)5)13(2)9-16(12)11-18-15(6,7)8/h2*17-19H,7-16H2,1-6H3;18-19H,7-17H2,1-6H3;16-19H,8-15H2,1-7H3;16-18H,8-15H2,1-7H3;17-18H,7-16H2,1-6H3;16-18H,7-15H2,1-6H3;16-17H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14H,5-13H2,1-4H3;12-13H,9-11H2,1-8H3/t2*18-,19-;;;;;;;;;/m10........./s1.
What are the key properties of (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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
(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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine has a molecular weight of 3472.84 g/mol, XLogP of 39.76, 49 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (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;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;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;1-tert-butyl-4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]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-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine is sourced from PubChem (CID 159187092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).