1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate

C167H266N20O13S2 — CID 161345774

IUPAC1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
SMILESCC(=O)NCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cc(CC2COC2)ncn1.CC(C)(C)c1cccc(CN2CCN(CCCC(=O)O)CC2)c1.CC(C)(C)c1cccc(CN2CCN(CCCC(N)=O)CC2)c1.CC(C)(C)c1cccc(N2CCS(=O)(=O)CC2)c1.CC(C)(C)c1cccc(OC2CCN(S(C)(=O)=O)C2)c1.CC(c1cccc(C(C)(C)C)c1)N1CCN(C)CC1.CCOC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.COc1cc(CN2CCN(C)CC2)cc(C(C)(C)C)c1
InChIInChI=1S/2C19H31N3O.2C19H30N2O2.C17H28N2O.C17H28N2.C16H26N2.C15H23NO3S.C14H21NO2S.C12H18N2O/c1-16(23)20-8-9-21-10-12-22(13-11-21)15-17-6-5-7-18(14-17)19(2,3)4;1-19(2,3)17-7-4-6-16(14-17)15-22-12-10-21(11-13-22)9-5-8-18(20)23;1-19(2,3)17-7-4-6-16(14-17)15-21-12-10-20(11-13-21)9-5-8-18(22)23;1-5-23-18(22)15-21-11-9-20(10-12-21)14-16-7-6-8-17(13-16)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;1-16(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)12-5-4-6-13(11-12)15-7-9-18(16,17)10-8-15;1-12(2,3)11-5-10(13-8-14-11)4-9-6-15-7-9/h5-7,14H,8-13,15H2,1-4H3,(H,20,23);4,6-7,14H,5,8-13,15H2,1-3H3,(H2,20,23);4,6-7,14H,5,8-13,15H2,1-3H3,(H,22,23);6-8,13H,5,9-12,14-15H2,1-4H3;10-12H,6-9,13H2,1-5H3;6-8,13-14H,9-12H2,1-5H3;5-8H,9-13H2,1-4H3;5-7,10,14H,8-9,11H2,1-4H3;4-6,11H,7-10H2,1-3H3;5,8-9H,4,6-7H2,1-3H3
InChIKeyVNGQBGJUPQULHM-UHFFFAOYSA-N
MW2826.23 g/mol
LogP25.58
Rot. Bonds35

About 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate

1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate (PubChem CID 161345774) has the molecular formula C167H266N20O13S2 and a molecular weight of 2826.23 g/mol. Its IUPAC name is 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Name1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
PubChem CID161345774
Molecular FormulaC167H266N20O13S2
Molecular Weight2826.23 g/mol
Exact Mass2824.02
IUPAC Name1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
SMILESCC(=O)NCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cc(CC2COC2)ncn1.CC(C)(C)c1cccc(CN2CCN(CCCC(=O)O)CC2)c1.CC(C)(C)c1cccc(CN2CCN(CCCC(N)=O)CC2)c1.CC(C)(C)c1cccc(N2CCS(=O)(=O)CC2)c1.CC(C)(C)c1cccc(OC2CCN(S(C)(=O)=O)C2)c1.CC(c1cccc(C(C)(C)C)c1)N1CCN(C)CC1.CCOC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.COc1cc(CN2CCN(C)CC2)cc(C(C)(C)C)c1
InChIInChI=1S/2C19H31N3O.2C19H30N2O2.C17H28N2O.C17H28N2.C16H26N2.C15H23NO3S.C14H21NO2S.C12H18N2O/c1-16(23)20-8-9-21-10-12-22(13-11-21)15-17-6-5-7-18(14-17)19(2,3)4;1-19(2,3)17-7-4-6-16(14-17)15-22-12-10-21(11-13-22)9-5-8-18(20)23;1-19(2,3)17-7-4-6-16(14-17)15-21-12-10-20(11-13-21)9-5-8-18(22)23;1-5-23-18(22)15-21-11-9-20(10-12-21)14-16-7-6-8-17(13-16)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;1-16(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)12-5-4-6-13(11-12)15-7-9-18(16,17)10-8-15;1-12(2,3)11-5-10(13-8-14-11)4-9-6-15-7-9/h5-7,14H,8-13,15H2,1-4H3,(H,20,23);4,6-7,14H,5,8-13,15H2,1-3H3,(H2,20,23);4,6-7,14H,5,8-13,15H2,1-3H3,(H,22,23);6-8,13H,5,9-12,14-15H2,1-4H3;10-12H,6-9,13H2,1-5H3;6-8,13-14H,9-12H2,1-5H3;5-8H,9-13H2,1-4H3;5-7,10,14H,8-9,11H2,1-4H3;4-6,11H,7-10H2,1-3H3;5,8-9H,4,6-7H2,1-3H3
InChIKeyVNGQBGJUPQULHM-UHFFFAOYSA-N
XLogP25.58
TPSA309.38 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds35
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002826.23
LogP ≤ 525.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate with MolForge

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Related Compounds

4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 159471554
4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 161897997
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;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);4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate;methane
CID 157527476
CID 157694505
CID 157694505
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 158225124
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 158572411
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 158621349
3-ethyl-1-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]pyrrolidin-2-one;3-fluoro-N-[2-fluoro-4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-3-methylbutane-1-sulfonamide;1-[[2-fluoro-4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]amino]propan-2-ol;N-[2-fluoro-4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-3,3-dimethylbutane-1-sulfonamide;N-[2-fluoro-4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]propane-1-sulfonamide;1-[[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]amino]propan-2-ol
CID 158950086
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;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);4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 159243564
4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine
CID 159892017
3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine
CID 161439052
CID 161650339
CID 161650339

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate?
The IUPAC name of 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate (CID 161345774) is 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate.
What is the SMILES notation for 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate?
The canonical SMILES for 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate is CC(=O)NCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cc(CC2COC2)ncn1.CC(C)(C)c1cccc(CN2CCN(CCCC(=O)O)CC2)c1.CC(C)(C)c1cccc(CN2CCN(CCCC(N)=O)CC2)c1.CC(C)(C)c1cccc(N2CCS(=O)(=O)CC2)c1.CC(C)(C)c1cccc(OC2CCN(S(C)(=O)=O)C2)c1.CC(c1cccc(C(C)(C)C)c1)N1CCN(C)CC1.CCOC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.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;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate?
The InChIKey is VNGQBGJUPQULHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H31N3O.2C19H30N2O2.C17H28N2O.C17H28N2.C16H26N2.C15H23NO3S.C14H21NO2S.C12H18N2O/c1-16(23)20-8-9-21-10-12-22(13-11-21)15-17-6-5-7-18(14-17)19(2,3)4;1-19(2,3)17-7-4-6-16(14-17)15-22-12-10-21(11-13-22)9-5-8-18(20)23;1-19(2,3)17-7-4-6-16(14-17)15-21-12-10-20(11-13-21)9-5-8-18(22)23;1-5-23-18(22)15-21-11-9-20(10-12-21)14-16-7-6-8-17(13-16)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;1-16(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)12-5-4-6-13(11-12)15-7-9-18(16,17)10-8-15;1-12(2,3)11-5-10(13-8-14-11)4-9-6-15-7-9/h5-7,14H,8-13,15H2,1-4H3,(H,20,23);4,6-7,14H,5,8-13,15H2,1-3H3,(H2,20,23);4,6-7,14H,5,8-13,15H2,1-3H3,(H,22,23);6-8,13H,5,9-12,14-15H2,1-4H3;10-12H,6-9,13H2,1-5H3;6-8,13-14H,9-12H2,1-5H3;5-8H,9-13H2,1-4H3;5-7,10,14H,8-9,11H2,1-4H3;4-6,11H,7-10H2,1-3H3;5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate?
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate has a molecular weight of 2826.23 g/mol, XLogP of 25.58, 35 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanoic acid;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]acetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 161345774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).