1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine

C164H292F2N32O8 — CID 158336054

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine
SMILESCC(C)(C)N1CCC(C(N)=O)CC1.CC(C)(C)N1CCC(CCO)CC1.CC(C)(C)N1CCC(O)(c2ccccc2)CC1.CC(C)(C)N1CCCC1CO.CC(C)(C)N1CCN(CCC#N)CC1.CC(C)(C)N1CCN(CCO)CC1.CC(C)(C)N1CCN(Cc2ccc3c(c2)OCO3)CC1.CC(C)(C)N1CCN(c2ccc(F)cc2F)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)N(C)Cc1cccnc1.CC(C)N1CCN(CCN2CCOCC2)CC1.CN(CCC#N)C(C)(C)C
InChIInChI=1S/C16H24N2O2.C15H23NO.C14H20F2N2.C13H27N3O.C13H21N3.2C12H20N4.C11H21N3.C11H23NO.C10H22N2O.C10H20N2O.C10H16N2.C9H19NO.C8H16N2/c1-16(2,3)18-8-6-17(7-9-18)11-13-4-5-14-15(10-13)20-12-19-14;1-14(2,3)16-11-9-15(17,10-12-16)13-7-5-4-6-8-13;1-14(2,3)18-8-6-17(7-9-18)13-5-4-11(15)10-12(13)16;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-11(2,3)14-9-7-13(8-10-14)6-4-5-12;1-11(2,3)12-7-4-10(5-8-12)6-9-13;1-10(2,3)12-6-4-11(5-7-12)8-9-13;1-10(2,3)12-6-4-8(5-7-12)9(11)13;1-9(2)12(3)8-10-5-4-6-11-7-10;1-9(2,3)10-6-4-5-8(10)7-11;1-8(2,3)10(4)7-5-6-9/h4-5,10H,6-9,11-12H2,1-3H3;4-8,17H,9-12H2,1-3H3;4-5,10H,6-9H2,1-3H3;13H,3-12H2,1-2H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;4,6-10H2,1-3H3;10,13H,4-9H2,1-3H3;13H,4-9H2,1-3H3;8H,4-7H2,1-3H3,(H2,11,13);4-7,9H,8H2,1-3H3;8,11H,4-7H2,1-3H3;5,7H2,1-4H3
InChIKeyGQPBDAOUWWXVHL-UHFFFAOYSA-N
MW2878.35 g/mol
LogP22.49
Rot. Bonds24

About 1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine

1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine (PubChem CID 158336054) has the molecular formula C164H292F2N32O8 and a molecular weight of 2878.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine
PubChem CID158336054
Molecular FormulaC164H292F2N32O8
Molecular Weight2878.35 g/mol
Exact Mass2876.34
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine
SMILESCC(C)(C)N1CCC(C(N)=O)CC1.CC(C)(C)N1CCC(CCO)CC1.CC(C)(C)N1CCC(O)(c2ccccc2)CC1.CC(C)(C)N1CCCC1CO.CC(C)(C)N1CCN(CCC#N)CC1.CC(C)(C)N1CCN(CCO)CC1.CC(C)(C)N1CCN(Cc2ccc3c(c2)OCO3)CC1.CC(C)(C)N1CCN(c2ccc(F)cc2F)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)N(C)Cc1cccnc1.CC(C)N1CCN(CCN2CCOCC2)CC1.CN(CCC#N)C(C)(C)C
InChIInChI=1S/C16H24N2O2.C15H23NO.C14H20F2N2.C13H27N3O.C13H21N3.2C12H20N4.C11H21N3.C11H23NO.C10H22N2O.C10H20N2O.C10H16N2.C9H19NO.C8H16N2/c1-16(2,3)18-8-6-17(7-9-18)11-13-4-5-14-15(10-13)20-12-19-14;1-14(2,3)16-11-9-15(17,10-12-16)13-7-5-4-6-8-13;1-14(2,3)18-8-6-17(7-9-18)13-5-4-11(15)10-12(13)16;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-11(2,3)14-9-7-13(8-10-14)6-4-5-12;1-11(2,3)12-7-4-10(5-8-12)6-9-13;1-10(2,3)12-6-4-11(5-7-12)8-9-13;1-10(2,3)12-6-4-8(5-7-12)9(11)13;1-9(2)12(3)8-10-5-4-6-11-7-10;1-9(2,3)10-6-4-5-8(10)7-11;1-8(2,3)10(4)7-5-6-9/h4-5,10H,6-9,11-12H2,1-3H3;4-8,17H,9-12H2,1-3H3;4-5,10H,6-9H2,1-3H3;13H,3-12H2,1-2H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;4,6-10H2,1-3H3;10,13H,4-9H2,1-3H3;13H,4-9H2,1-3H3;8H,4-7H2,1-3H3,(H2,11,13);4-7,9H,8H2,1-3H3;8,11H,4-7H2,1-3H3;5,7H2,1-4H3
InChIKeyGQPBDAOUWWXVHL-UHFFFAOYSA-N
XLogP22.49
TPSA351.14 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002878.35
LogP ≤ 522.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze 1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one
CID 159065586
N-[5-(1,3-benzodioxol-5-yl)-4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-(6-morpholin-4-yl-3-pyridinyl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 161007920
(2S)-1-[4-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one;(2S)-1-[4-[2-[6-amino-2-fluoro-8-[(6-(131I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one;2-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]-1-[3-(propan-2-ylamino)propyl]imidazo[4,5-c]pyridin-4-amine
CID 158859430
1-(1,3-Benzodioxol-5-ylmethyl)piperazine;1-(4-tert-butyl-1,4-diazepan-1-yl)ethanone;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;(1-tert-butylpyrrolidin-2-yl)methanol;3-(methylamino)propanenitrile;tris(2-methylpropane);1-pyridin-4-ylpiperazine
CID 160171847
1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-(4-tert-butyl-1,4-diazepan-1-yl)ethanone;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butylpiperazine;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine-4-carboxamide;1-tert-butylpiperidin-3-ol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butylpyrrolidin-3-ol;N-(1-tert-butylpyrrolidin-3-yl)acetamide;(1-tert-butylpyrrolidin-2-yl)methanol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;N,2-dimethylpropan-2-amine;ethane;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine
CID 161421103
1-(1,3-benzodioxol-5-ylmethyl)piperazine;4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-phenylpiperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-tert-butylpiperazin-1-yl)ethanol;(4-tert-butylpiperazin-1-yl)-phenylmethanone;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;1-tert-butylpiperidine-4-carboxamide;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;4-(1-tert-butylpyrrolidin-3-yl)morpholine;3-(methylamino)propanenitrile;bis(2-methylpropane);N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;2-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 161923939
1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-(4-tert-butyl-1,4-diazepan-1-yl)ethanone;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butylpiperazine;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine-4-carboxamide;1-tert-butylpiperidin-3-ol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidin-3-ol;N-(1-tert-butylpyrrolidin-3-yl)acetamide;(1-tert-butylpyrrolidin-2-yl)methanol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;ethane;N-methylpropan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine
CID 167591520

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine (CID 158336054) is 1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine is CC(C)(C)N1CCC(C(N)=O)CC1.CC(C)(C)N1CCC(CCO)CC1.CC(C)(C)N1CCC(O)(c2ccccc2)CC1.CC(C)(C)N1CCCC1CO.CC(C)(C)N1CCN(CCC#N)CC1.CC(C)(C)N1CCN(CCO)CC1.CC(C)(C)N1CCN(Cc2ccc3c(c2)OCO3)CC1.CC(C)(C)N1CCN(c2ccc(F)cc2F)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)N(C)Cc1cccnc1.CC(C)N1CCN(CCN2CCOCC2)CC1.CN(CCC#N)C(C)(C)C.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine?
The InChIKey is GQPBDAOUWWXVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C15H23NO.C14H20F2N2.C13H27N3O.C13H21N3.2C12H20N4.C11H21N3.C11H23NO.C10H22N2O.C10H20N2O.C10H16N2.C9H19NO.C8H16N2/c1-16(2,3)18-8-6-17(7-9-18)11-13-4-5-14-15(10-13)20-12-19-14;1-14(2,3)16-11-9-15(17,10-12-16)13-7-5-4-6-8-13;1-14(2,3)18-8-6-17(7-9-18)13-5-4-11(15)10-12(13)16;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-11(2,3)14-9-7-13(8-10-14)6-4-5-12;1-11(2,3)12-7-4-10(5-8-12)6-9-13;1-10(2,3)12-6-4-11(5-7-12)8-9-13;1-10(2,3)12-6-4-8(5-7-12)9(11)13;1-9(2)12(3)8-10-5-4-6-11-7-10;1-9(2,3)10-6-4-5-8(10)7-11;1-8(2,3)10(4)7-5-6-9/h4-5,10H,6-9,11-12H2,1-3H3;4-8,17H,9-12H2,1-3H3;4-5,10H,6-9H2,1-3H3;13H,3-12H2,1-2H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;4,6-10H2,1-3H3;10,13H,4-9H2,1-3H3;13H,4-9H2,1-3H3;8H,4-7H2,1-3H3,(H2,11,13);4-7,9H,8H2,1-3H3;8,11H,4-7H2,1-3H3;5,7H2,1-4H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine?
1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine has a molecular weight of 2878.35 g/mol, XLogP of 22.49, 24 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine is sourced from PubChem (CID 158336054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).