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

C209H405F2N41O9 — CID 167591520

IUPAC1-(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
SMILESCC.CC(=O)N1CCCN(C(C)(C)C)CC1.CC(=O)NC1CCN(C(C)(C)C)C1.CC(C)(C)N1CCC(C(N)=O)CC1.CC(C)(C)N1CCC(CCO)CC1.CC(C)(C)N1CCC(N)C1.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)N1CCCC1CO.CC(C)(C)N1CCN(CCC#N)CC1.CC(C)(C)N1CCN(Cc2ccc3c(c2)OCO3)CC1.CC(C)(C)N1CCN(c2ccc(F)cc2F)CC1.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCNCC1.CC(C)NCCCN1CCCCC1.CN(CCC#N)C(C)(C)C.CNC(C)C
InChIInChI=1S/C16H24N2O2.C14H20F2N2.C13H21N3.C13H26N2.2C12H20N4.C11H21N3.C11H22N2O.C11H24N2.C11H23NO.2C10H20N2O.C9H20N2.2C9H19NO.2C8H18N2.C8H16N2.C8H17NO.C4H11N.C2H6/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)18-8-6-17(7-9-18)13-5-4-11(15)10-12(13)16;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;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;1-10(14)12-6-5-7-13(9-8-12)11(2,3)4;1-11(2)12-7-6-10-13-8-4-3-5-9-13;1-11(2,3)12-7-4-10(5-8-12)6-9-13;1-8(13)11-9-5-6-12(7-9)10(2,3)4;1-10(2,3)12-6-4-8(5-7-12)9(11)13;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)10-6-4-5-8(10)7-11;1-9(2,3)10-6-4-5-8(11)7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)10(4)7-5-6-9;1-8(2,3)9-5-4-7(10)6-9;1-4(2)5-3;1-2/h4-5,10H,6-9,11-12H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-7H,8-11H2,1-3H3;12H,4-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;4,6-10H2,1-3H3;5-9H2,1-4H3;11-12H,3-10H2,1-2H3;10,13H,4-9H2,1-3H3;9H,5-7H2,1-4H3,(H,11,13);8H,4-7H2,1-3H3,(H2,11,13);8H,4-7,10H2,1-3H3;2*8,11H,4-7H2,1-3H3;9H,4-7H2,1-3H3;7H,4-6,9H2,1-3H3;5,7H2,1-4H3;7,10H,4-6H2,1-3H3;4-5H,1-3H3;1-2H3
InChIKeyIMRTVIANKGSASS-UHFFFAOYSA-N
MW3674.81 g/mol
LogP30.05
Rot. Bonds22

About 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

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 (PubChem CID 167591520) has the molecular formula C209H405F2N41O9 and a molecular weight of 3674.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID167591520
Molecular FormulaC209H405F2N41O9
Molecular Weight3674.81 g/mol
Exact Mass3672.25
IUPAC Name1-(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
SMILESCC.CC(=O)N1CCCN(C(C)(C)C)CC1.CC(=O)NC1CCN(C(C)(C)C)C1.CC(C)(C)N1CCC(C(N)=O)CC1.CC(C)(C)N1CCC(CCO)CC1.CC(C)(C)N1CCC(N)C1.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)N1CCCC1CO.CC(C)(C)N1CCN(CCC#N)CC1.CC(C)(C)N1CCN(Cc2ccc3c(c2)OCO3)CC1.CC(C)(C)N1CCN(c2ccc(F)cc2F)CC1.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCNCC1.CC(C)NCCCN1CCCCC1.CN(CCC#N)C(C)(C)C.CNC(C)C
InChIInChI=1S/C16H24N2O2.C14H20F2N2.C13H21N3.C13H26N2.2C12H20N4.C11H21N3.C11H22N2O.C11H24N2.C11H23NO.2C10H20N2O.C9H20N2.2C9H19NO.2C8H18N2.C8H16N2.C8H17NO.C4H11N.C2H6/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)18-8-6-17(7-9-18)13-5-4-11(15)10-12(13)16;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;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;1-10(14)12-6-5-7-13(9-8-12)11(2,3)4;1-11(2)12-7-6-10-13-8-4-3-5-9-13;1-11(2,3)12-7-4-10(5-8-12)6-9-13;1-8(13)11-9-5-6-12(7-9)10(2,3)4;1-10(2,3)12-6-4-8(5-7-12)9(11)13;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)10-6-4-5-8(10)7-11;1-9(2,3)10-6-4-5-8(11)7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)10(4)7-5-6-9;1-8(2,3)9-5-4-7(10)6-9;1-4(2)5-3;1-2/h4-5,10H,6-9,11-12H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-7H,8-11H2,1-3H3;12H,4-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;4,6-10H2,1-3H3;5-9H2,1-4H3;11-12H,3-10H2,1-2H3;10,13H,4-9H2,1-3H3;9H,5-7H2,1-4H3,(H,11,13);8H,4-7H2,1-3H3,(H2,11,13);8H,4-7,10H2,1-3H3;2*8,11H,4-7H2,1-3H3;9H,4-7H2,1-3H3;7H,4-6,9H2,1-3H3;5,7H2,1-4H3;7,10H,4-6H2,1-3H3;4-5H,1-3H3;1-2H3
InChIKeyIMRTVIANKGSASS-UHFFFAOYSA-N
XLogP30.05
TPSA476.28 Ų
H-Bond Donors11
H-Bond Acceptors47
Rotatable Bonds22
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003674.81
LogP ≤ 530.05
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC(=O)N1CCCN(C(C)(C)C)CC1.CC(=O)NC1CCN(C(C)(C)C)C1.CC(C)(C)N1CCC(C(N)=O)CC1.CC(C)(C)N1CCC(CCO)CC1.CC(C)(C)N1CCC(N)C1.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)N1CCCC1CO.CC(C)(C)N1CCN(CCC#N)CC1.CC(C)(C)N1CCN(Cc2ccc3c(c2)OCO3)CC1.CC(C)(C)N1CCN(c2ccc(F)cc2F)CC1.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)(C)N1CCNCC1.CC(C)NCCCN1CCCCC1.CN(CCC#N)C(C)(C)C.CNC(C)C.
What is the InChIKey of 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?
The InChIKey is IMRTVIANKGSASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C14H20F2N2.C13H21N3.C13H26N2.2C12H20N4.C11H21N3.C11H22N2O.C11H24N2.C11H23NO.2C10H20N2O.C9H20N2.2C9H19NO.2C8H18N2.C8H16N2.C8H17NO.C4H11N.C2H6/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)18-8-6-17(7-9-18)13-5-4-11(15)10-12(13)16;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;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;1-10(14)12-6-5-7-13(9-8-12)11(2,3)4;1-11(2)12-7-6-10-13-8-4-3-5-9-13;1-11(2,3)12-7-4-10(5-8-12)6-9-13;1-8(13)11-9-5-6-12(7-9)10(2,3)4;1-10(2,3)12-6-4-8(5-7-12)9(11)13;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)10-6-4-5-8(10)7-11;1-9(2,3)10-6-4-5-8(11)7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)10(4)7-5-6-9;1-8(2,3)9-5-4-7(10)6-9;1-4(2)5-3;1-2/h4-5,10H,6-9,11-12H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-7H,8-11H2,1-3H3;12H,4-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;4,6-10H2,1-3H3;5-9H2,1-4H3;11-12H,3-10H2,1-2H3;10,13H,4-9H2,1-3H3;9H,5-7H2,1-4H3,(H,11,13);8H,4-7H2,1-3H3,(H2,11,13);8H,4-7,10H2,1-3H3;2*8,11H,4-7H2,1-3H3;9H,4-7H2,1-3H3;7H,4-6,9H2,1-3H3;5,7H2,1-4H3;7,10H,4-6H2,1-3H3;4-5H,1-3H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3674.81 g/mol, XLogP of 30.05, 22 rotatable bonds, 11 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167591520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).