1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane

C155H247N15O9S — CID 158710087

IUPAC1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane
SMILESCC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)NCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cccc(C2CCOC2)c1.CC(C)(C)c1cccc(OC2CCN(S(C)(=O)=O)C2)c1.CC(c1cccc(C(C)(C)C)c1)N1CCN(C)CC1.CC1CC(Nc2cccc(C(C)(C)C)c2)CC(C)O1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.COc1cc(CN2CCN(C)CC2)cc(C(C)(C)C)c1
InChIInChI=1S/2C20H32N2O.C19H31N3O.C17H28N2O.C17H28N2.C17H27NO.C16H26N2.C15H23NO3S.C14H20O/c2*1-17(23)7-6-10-21-11-13-22(14-12-21)16-18-8-5-9-19(15-18)20(2,3)4;1-16(23)20-8-9-21-10-12-22(13-11-21)15-17-6-5-7-18(14-17)19(2,3)4;1-17(2,3)15-10-14(11-16(12-15)20-5)13-19-8-6-18(4)7-9-19;1-14(19-11-9-18(5)10-12-19)15-7-6-8-16(13-15)17(2,3)4;1-12-9-16(10-13(2)19-12)18-15-8-6-7-14(11-15)17(3,4)5;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-15(2,3)12-6-5-7-13(10-12)19-14-8-9-16(11-14)20(4,17)18;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12/h2*5,8-9,15H,6-7,10-14,16H2,1-4H3;5-7,14H,8-13,15H2,1-4H3,(H,20,23);10-12H,6-9,13H2,1-5H3;6-8,13-14H,9-12H2,1-5H3;6-8,11-13,16,18H,9-10H2,1-5H3;5-8H,9-13H2,1-4H3;5-7,10,14H,8-9,11H2,1-4H3;4-6,9,12H,7-8,10H2,1-3H3
InChIKeyIIPMFJLFJWEMCX-UHFFFAOYSA-N
MW2496.84 g/mol
LogP28.18
Rot. Bonds30

About 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane

1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane (PubChem CID 158710087) has the molecular formula C155H247N15O9S and a molecular weight of 2496.84 g/mol. Its IUPAC name is 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane.

Molecular Properties

Compound Name1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane
PubChem CID158710087
Molecular FormulaC155H247N15O9S
Molecular Weight2496.84 g/mol
Exact Mass2494.91
IUPAC Name1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane
SMILESCC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)NCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cccc(C2CCOC2)c1.CC(C)(C)c1cccc(OC2CCN(S(C)(=O)=O)C2)c1.CC(c1cccc(C(C)(C)C)c1)N1CCN(C)CC1.CC1CC(Nc2cccc(C(C)(C)C)c2)CC(C)O1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.COc1cc(CN2CCN(C)CC2)cc(C(C)(C)C)c1
InChIInChI=1S/2C20H32N2O.C19H31N3O.C17H28N2O.C17H28N2.C17H27NO.C16H26N2.C15H23NO3S.C14H20O/c2*1-17(23)7-6-10-21-11-13-22(14-12-21)16-18-8-5-9-19(15-18)20(2,3)4;1-16(23)20-8-9-21-10-12-22(13-11-21)15-17-6-5-7-18(14-17)19(2,3)4;1-17(2,3)15-10-14(11-16(12-15)20-5)13-19-8-6-18(4)7-9-19;1-14(19-11-9-18(5)10-12-19)15-7-6-8-16(13-15)17(2,3)4;1-12-9-16(10-13(2)19-12)18-15-8-6-7-14(11-15)17(3,4)5;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-15(2,3)12-6-5-7-13(10-12)19-14-8-9-16(11-14)20(4,17)18;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12/h2*5,8-9,15H,6-7,10-14,16H2,1-4H3;5-7,14H,8-13,15H2,1-4H3,(H,20,23);10-12H,6-9,13H2,1-5H3;6-8,13-14H,9-12H2,1-5H3;6-8,11-13,16,18H,9-10H2,1-5H3;5-8H,9-13H2,1-4H3;5-7,10,14H,8-9,11H2,1-4H3;4-6,9,12H,7-8,10H2,1-3H3
InChIKeyIIPMFJLFJWEMCX-UHFFFAOYSA-N
XLogP28.18
TPSA188.45 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002496.84
LogP ≤ 528.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane with MolForge

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Related Compounds

1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 157265020
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;4-[(3-tert-butylphenyl)methyl]oxane;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 157306343
1-tert-butyl-4-(3-methoxypropoxy)benzene;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 157627718
4-[2-(3-tert-butylphenoxy)ethyl]morpholine;3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;bis(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 158323563
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
CID 158642185
3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 159120647
3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;1-[(4-tert-butylphenyl)methyl]piperazine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 159167099
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
CID 159692755
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 160585698
3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;bis(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 160824761
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
CID 160866208
4-[2-(3-tert-butylphenoxy)ethyl]morpholine;3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 161556484

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane?
The IUPAC name of 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane (CID 158710087) is 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane.
What is the SMILES notation for 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane?
The canonical SMILES for 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane is CC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(=O)NCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cccc(C2CCOC2)c1.CC(C)(C)c1cccc(OC2CCN(S(C)(=O)=O)C2)c1.CC(c1cccc(C(C)(C)C)c1)N1CCN(C)CC1.CC1CC(Nc2cccc(C(C)(C)C)c2)CC(C)O1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.COc1cc(CN2CCN(C)CC2)cc(C(C)(C)C)c1.
What is the InChIKey of 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane?
The InChIKey is IIPMFJLFJWEMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H32N2O.C19H31N3O.C17H28N2O.C17H28N2.C17H27NO.C16H26N2.C15H23NO3S.C14H20O/c2*1-17(23)7-6-10-21-11-13-22(14-12-21)16-18-8-5-9-19(15-18)20(2,3)4;1-16(23)20-8-9-21-10-12-22(13-11-21)15-17-6-5-7-18(14-17)19(2,3)4;1-17(2,3)15-10-14(11-16(12-15)20-5)13-19-8-6-18(4)7-9-19;1-14(19-11-9-18(5)10-12-19)15-7-6-8-16(13-15)17(2,3)4;1-12-9-16(10-13(2)19-12)18-15-8-6-7-14(11-15)17(3,4)5;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-15(2,3)12-6-5-7-13(10-12)19-14-8-9-16(11-14)20(4,17)18;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12/h2*5,8-9,15H,6-7,10-14,16H2,1-4H3;5-7,14H,8-13,15H2,1-4H3,(H,20,23);10-12H,6-9,13H2,1-5H3;6-8,13-14H,9-12H2,1-5H3;6-8,11-13,16,18H,9-10H2,1-5H3;5-8H,9-13H2,1-4H3;5-7,10,14H,8-9,11H2,1-4H3;4-6,9,12H,7-8,10H2,1-3H3.
What are the key properties of 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane?
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane has a molecular weight of 2496.84 g/mol, XLogP of 28.18, 30 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;bis(5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one);3-(3-tert-butylphenyl)oxolane is sourced from PubChem (CID 158710087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).