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

C111H177N13O7S — CID 161439052

About 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

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 (PubChem CID 161439052) has the molecular formula C111H177N13O7S and a molecular weight of 1837.79 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161439052
• Molecular Formula: C111H177N13O7S
• Molecular Weight: 1837.79 g/mol
• Exact Mass: 1836.36
• IUPAC Name: 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
• SMILES: CC(C)(C)c1cc(CC2CCNCC2)ncn1.CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)(C)c1ccc(OC2CCNC2)cc1.CN(C)C(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN(C)CCCOc1ccc(C(C)(C)C)cc1.CN1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CNC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1
• InChI: InChI=1S/C20H33N3O.C19H31N3O.C15H23NO.C15H25NO.C14H23N3.C14H21NO2S.C14H21NO/c1-20(2,3)18-8-5-7-17(15-18)16-23-13-11-22(12-14-23)10-6-9-19(24)21-4;1-19(2,3)17-8-6-7-16(13-17)14-21-9-11-22(12-10-21)15-18(23)20(4)5;1-15(2,3)12-5-7-13(8-6-12)17-14-9-10-16(4)11-14;1-15(2,3)13-7-9-14(10-8-13)17-12-6-11-16(4)5;1-14(2,3)13-9-12(16-10-17-13)8-11-4-6-15-7-5-11;1-14(2,3)12-4-6-13(7-5-12)15-8-10-18(16,17)11-9-15;1-14(2,3)11-4-6-12(7-5-11)16-13-8-9-15-10-13/h5,7-8,15H,6,9-14,16H2,1-4H3,(H,21,24);6-8,13H,9-12,14-15H2,1-5H3;5-8,14H,9-11H2,1-4H3;7-10H,6,11-12H2,1-5H3;9-11,15H,4-8H2,1-3H3;4-7H,8-11H2,1-3H3;4-7,13,15H,8-10H2,1-3H3
• InChIKey: VZAJJWHHCQNALC-UHFFFAOYSA-N
• XLogP: 18.46
• TPSA: 183.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1837.79
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1cc(CC2CCNCC2)ncn1.CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)(C)c1ccc(OC2CCNC2)cc1.CN(C)C(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN(C)CCCOc1ccc(C(C)(C)C)cc1.CN1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CNC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.

What is the InChIKey of 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?

The InChIKey is VZAJJWHHCQNALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.C19H31N3O.C15H23NO.C15H25NO.C14H23N3.C14H21NO2S.C14H21NO/c1-20(2,3)18-8-5-7-17(15-18)16-23-13-11-22(12-14-23)10-6-9-19(24)21-4;1-19(2,3)17-8-6-7-16(13-17)14-21-9-11-22(12-10-21)15-18(23)20(4)5;1-15(2,3)12-5-7-13(8-6-12)17-14-9-10-16(4)11-14;1-15(2,3)13-7-9-14(10-8-13)17-12-6-11-16(4)5;1-14(2,3)13-9-12(16-10-17-13)8-11-4-6-15-7-5-11;1-14(2,3)12-4-6-13(7-5-12)15-8-10-18(16,17)11-9-15;1-14(2,3)11-4-6-12(7-5-11)16-13-8-9-15-10-13/h5,7-8,15H,6,9-14,16H2,1-4H3,(H,21,24);6-8,13H,9-12,14-15H2,1-5H3;5-8,14H,9-11H2,1-4H3;7-10H,6,11-12H2,1-5H3;9-11,15H,4-8H2,1-3H3;4-7H,8-11H2,1-3H3;4-7,13,15H,8-10H2,1-3H3.

What are the key properties of 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?

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 has a molecular weight of 1837.79 g/mol, XLogP of 18.46, 22 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161439052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).