1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane

C153H262F3N13O3 — CID 157125331

About 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane

1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane (PubChem CID 157125331) has the molecular formula C153H262F3N13O3 and a molecular weight of 2388.86 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane.

Molecular Properties

• Compound Name: 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane
• PubChem CID: 157125331
• Molecular Formula: C153H262F3N13O3
• Molecular Weight: 2388.86 g/mol
• Exact Mass: 2387.07
• IUPAC Name: 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane
• SMILES: C.C.C.C.C.C.C.C.C.CC(C)(C)Cc1ccc(C2CCNC2)cc1.CC(C)(C)Cc1ccc(C2CCNCC2)cc1.CC(C)(C)Cc1ccc(C2CNCCO2)cc1.CC(C)(C)Cc1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)(C)Cc1ccc(NC2CCNCC2)cc1.CN(c1ccc(CC(C)(C)C)cc1)C1CCCNC1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)C1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)CC1.Cc1cc(CC(C)(C)C)ccc1N1CCNCC1
• InChI: InChI=1S/C17H28N2.C17H27NO.C16H23F3N2.2C16H26N2.C16H25NO.C16H25N.C15H23NO.C15H23N.9CH4/c1-17(2,3)12-14-7-9-15(10-8-14)19(4)16-6-5-11-18-13-16;1-17(2,3)13-14-5-7-15(8-6-14)19-16-9-11-18(4)12-10-16;1-15(2,3)11-12-4-5-14(13(10-12)16(17,18)19)21-8-6-20-7-9-21;1-13-11-14(12-16(2,3)4)5-6-15(13)18-9-7-17-8-10-18;1-16(2,3)12-13-4-6-14(7-5-13)18-15-8-10-17-11-9-15;1-16(2,3)11-13-5-7-14(8-6-13)18-15-9-10-17(4)12-15;1-16(2,3)12-13-4-6-14(7-5-13)15-8-10-17-11-9-15;1-15(2,3)10-12-4-6-13(7-5-12)14-11-16-8-9-17-14;1-15(2,3)10-12-4-6-13(7-5-12)14-8-9-16-11-14;;;;;;;;;/h7-10,16,18H,5-6,11-13H2,1-4H3;5-8,16H,9-13H2,1-4H3;4-5,10,20H,6-9,11H2,1-3H3;5-6,11,17H,7-10,12H2,1-4H3;4-7,15,17-18H,8-12H2,1-3H3;5-8,15H,9-12H2,1-4H3;4-7,15,17H,8-12H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;9*1H4
• InChIKey: AILDEBAGHPTZCG-UHFFFAOYSA-N
• XLogP: 36.46
• TPSA: 140.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2388.86
LogP ≤ 5	36.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane?

The IUPAC name of 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane (CID 157125331) is 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane.

What is the SMILES notation for 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane?

The canonical SMILES for 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane is C.C.C.C.C.C.C.C.C.CC(C)(C)Cc1ccc(C2CCNC2)cc1.CC(C)(C)Cc1ccc(C2CCNCC2)cc1.CC(C)(C)Cc1ccc(C2CNCCO2)cc1.CC(C)(C)Cc1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)(C)Cc1ccc(NC2CCNCC2)cc1.CN(c1ccc(CC(C)(C)C)cc1)C1CCCNC1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)C1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)CC1.Cc1cc(CC(C)(C)C)ccc1N1CCNCC1.

What is the InChIKey of 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane?

The InChIKey is AILDEBAGHPTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C17H27NO.C16H23F3N2.2C16H26N2.C16H25NO.C16H25N.C15H23NO.C15H23N.9CH4/c1-17(2,3)12-14-7-9-15(10-8-14)19(4)16-6-5-11-18-13-16;1-17(2,3)13-14-5-7-15(8-6-14)19-16-9-11-18(4)12-10-16;1-15(2,3)11-12-4-5-14(13(10-12)16(17,18)19)21-8-6-20-7-9-21;1-13-11-14(12-16(2,3)4)5-6-15(13)18-9-7-17-8-10-18;1-16(2,3)12-13-4-6-14(7-5-13)18-15-8-10-17-11-9-15;1-16(2,3)11-13-5-7-14(8-6-13)18-15-9-10-17(4)12-15;1-16(2,3)12-13-4-6-14(7-5-13)15-8-10-17-11-9-15;1-15(2,3)10-12-4-6-13(7-5-12)14-11-16-8-9-17-14;1-15(2,3)10-12-4-6-13(7-5-12)14-8-9-16-11-14;;;;;;;;;/h7-10,16,18H,5-6,11-13H2,1-4H3;5-8,16H,9-13H2,1-4H3;4-5,10,20H,6-9,11H2,1-3H3;5-6,11,17H,7-10,12H2,1-4H3;4-7,15,17-18H,8-12H2,1-3H3;5-8,15H,9-12H2,1-4H3;4-7,15,17H,8-12H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;9*1H4.

What are the key properties of 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane?

1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane has a molecular weight of 2388.86 g/mol, XLogP of 36.46, 22 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane is sourced from PubChem (CID 157125331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).