1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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

C168H267N15O10 — CID 159989372

IUPAC1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1cccc(C2CCOC2)c1.CC(C)(C)c1cccc(CN2CCN(CCN)CC2)c1.CC1CC(Nc2cccc(C(C)(C)C)c2)CC(C)O1.CN(c1ccc(C(C)(C)C)cc1)C1CCOC1.COCCCOc1ccc(C(C)(C)C)cc1.COc1cc(CN2CCN(C)CC2)cc(C(C)(C)C)c1
InChIInChI=1S/2C20H32N2O.C19H31N3O.C17H29N3.C17H28N2O.C17H27NO.2C15H23NO.C14H22O2.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)16-6-4-5-15(13-16)14-20-11-9-19(8-7-18)10-12-20;1-17(2,3)15-10-14(11-16(12-15)20-5)13-19-8-6-18(4)7-9-19;1-12-9-16(10-13(2)19-12)18-15-8-6-7-14(11-15)17(3,4)5;1-15(2,3)12-5-7-13(8-6-12)16(4)14-9-10-17-11-14;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-14(2,3)12-6-8-13(9-7-12)16-11-5-10-15-4;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);4-6,13H,7-12,14,18H2,1-3H3;10-12H,6-9,13H2,1-5H3;6-8,11-13,16,18H,9-10H2,1-5H3;5-8,14H,9-11H2,1-4H3;4-7H,8-12H2,1-3H3;6-9H,5,10-11H2,1-4H3;4-6,9,12H,7-8,10H2,1-3H3
InChIKeyOGTGOSGQMBZUMG-UHFFFAOYSA-N
MW2657.08 g/mol
LogP31.25
Rot. Bonds36

About 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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 159989372) has the molecular formula C168H267N15O10 and a molecular weight of 2657.08 g/mol. Its IUPAC name is 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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 CID159989372
Molecular FormulaC168H267N15O10
Molecular Weight2657.08 g/mol
Exact Mass2655.08
IUPAC Name1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1cccc(C2CCOC2)c1.CC(C)(C)c1cccc(CN2CCN(CCN)CC2)c1.CC1CC(Nc2cccc(C(C)(C)C)c2)CC(C)O1.CN(c1ccc(C(C)(C)C)cc1)C1CCOC1.COCCCOc1ccc(C(C)(C)C)cc1.COc1cc(CN2CCN(C)CC2)cc(C(C)(C)C)c1
InChIInChI=1S/2C20H32N2O.C19H31N3O.C17H29N3.C17H28N2O.C17H27NO.2C15H23NO.C14H22O2.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)16-6-4-5-15(13-16)14-20-11-9-19(8-7-18)10-12-20;1-17(2,3)15-10-14(11-16(12-15)20-5)13-19-8-6-18(4)7-9-19;1-12-9-16(10-13(2)19-12)18-15-8-6-7-14(11-15)17(3,4)5;1-15(2,3)12-5-7-13(8-6-12)16(4)14-9-10-17-11-14;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-14(2,3)12-6-8-13(9-7-12)16-11-5-10-15-4;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);4-6,13H,7-12,14,18H2,1-3H3;10-12H,6-9,13H2,1-5H3;6-8,11-13,16,18H,9-10H2,1-5H3;5-8,14H,9-11H2,1-4H3;4-7H,8-12H2,1-3H3;6-9H,5,10-11H2,1-4H3;4-6,9,12H,7-8,10H2,1-3H3
InChIKeyOGTGOSGQMBZUMG-UHFFFAOYSA-N
XLogP31.25
TPSA204.78 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002657.08
LogP ≤ 531.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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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Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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 159989372) is 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1cccc(C2CCOC2)c1.CC(C)(C)c1cccc(CN2CCN(CCN)CC2)c1.CC1CC(Nc2cccc(C(C)(C)C)c2)CC(C)O1.CN(c1ccc(C(C)(C)C)cc1)C1CCOC1.COCCCOc1ccc(C(C)(C)C)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;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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 OGTGOSGQMBZUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H32N2O.C19H31N3O.C17H29N3.C17H28N2O.C17H27NO.2C15H23NO.C14H22O2.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)16-6-4-5-15(13-16)14-20-11-9-19(8-7-18)10-12-20;1-17(2,3)15-10-14(11-16(12-15)20-5)13-19-8-6-18(4)7-9-19;1-12-9-16(10-13(2)19-12)18-15-8-6-7-14(11-15)17(3,4)5;1-15(2,3)12-5-7-13(8-6-12)16(4)14-9-10-17-11-14;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-14(2,3)12-6-8-13(9-7-12)16-11-5-10-15-4;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);4-6,13H,7-12,14,18H2,1-3H3;10-12H,6-9,13H2,1-5H3;6-8,11-13,16,18H,9-10H2,1-5H3;5-8,14H,9-11H2,1-4H3;4-7H,8-12H2,1-3H3;6-9H,5,10-11H2,1-4H3;4-6,9,12H,7-8,10H2,1-3H3.
What are the key properties of 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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 2657.08 g/mol, XLogP of 31.25, 36 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;1-tert-butyl-4-(3-methoxypropoxy)benzene;N-(3-tert-butylphenyl)-2,6-dimethyloxan-4-amine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;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 159989372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).