1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine

C99H187N7O8 — CID 158104120

About 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine

1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine (PubChem CID 158104120) has the molecular formula C99H187N7O8 and a molecular weight of 1603.63 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine
• PubChem CID: 158104120
• Molecular Formula: C99H187N7O8
• Molecular Weight: 1603.63 g/mol
• Exact Mass: 1602.44
• IUPAC Name: 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine
• SMILES: CC(C)(C)C.CC(C)(C)CN1CC(OCCN2CCCCC2)C1.CC(C)(C)CN1CC(OCCN2CCCCC2)C1.CC(C)(C)COCCCOCc1ccc(C(C)(C)C)cc1.CC(C)(C)COCCCOCc1ccccc1.CC(C)(C)N1CCC(CCN2CCCCC2)CC1.CC(C)(C)OC1CC(OCN2CCCCC2)C1
• InChI: InChI=1S/C19H32O2.C16H32N2.2C15H30N2O.C15H24O2.C14H27NO2.C5H12/c1-18(2,3)15-21-13-7-12-20-14-16-8-10-17(11-9-16)19(4,5)6;1-16(2,3)18-13-8-15(9-14-18)7-12-17-10-5-4-6-11-17;2*1-15(2,3)13-17-11-14(12-17)18-10-9-16-7-5-4-6-8-16;1-15(2,3)13-17-11-7-10-16-12-14-8-5-4-6-9-14;1-14(2,3)17-13-9-12(10-13)16-11-15-7-5-4-6-8-15;1-5(2,3)4/h8-11H,7,12-15H2,1-6H3;15H,4-14H2,1-3H3;2*14H,4-13H2,1-3H3;4-6,8-9H,7,10-13H2,1-3H3;12-13H,4-11H2,1-3H3;1-4H3
• InChIKey: FPPWQQFOTSJHAN-UHFFFAOYSA-N
• XLogP: 21.27
• TPSA: 96.52 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 31
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.63
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine?

The IUPAC name of 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine (CID 158104120) is 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine.

What is the SMILES notation for 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine?

The canonical SMILES for 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine is CC(C)(C)C.CC(C)(C)CN1CC(OCCN2CCCCC2)C1.CC(C)(C)CN1CC(OCCN2CCCCC2)C1.CC(C)(C)COCCCOCc1ccc(C(C)(C)C)cc1.CC(C)(C)COCCCOCc1ccccc1.CC(C)(C)N1CCC(CCN2CCCCC2)CC1.CC(C)(C)OC1CC(OCN2CCCCC2)C1.

What is the InChIKey of 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine?

The InChIKey is FPPWQQFOTSJHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2.C16H32N2.2C15H30N2O.C15H24O2.C14H27NO2.C5H12/c1-18(2,3)15-21-13-7-12-20-14-16-8-10-17(11-9-16)19(4,5)6;1-16(2,3)18-13-8-15(9-14-18)7-12-17-10-5-4-6-11-17;2*1-15(2,3)13-17-11-14(12-17)18-10-9-16-7-5-4-6-8-16;1-15(2,3)13-17-11-7-10-16-12-14-8-5-4-6-9-14;1-14(2,3)17-13-9-12(10-13)16-11-15-7-5-4-6-8-15;1-5(2,3)4/h8-11H,7,12-15H2,1-6H3;15H,4-14H2,1-3H3;2*14H,4-13H2,1-3H3;4-6,8-9H,7,10-13H2,1-3H3;12-13H,4-11H2,1-3H3;1-4H3.

What are the key properties of 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine?

1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine has a molecular weight of 1603.63 g/mol, XLogP of 21.27, 31 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-[3-(2,2-dimethylpropoxy)propoxymethyl]benzene;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;2,2-dimethylpropane;3-(2,2-dimethylpropoxy)propoxymethylbenzene;bis(1-[2-[1-(2,2-dimethylpropyl)azetidin-3-yl]oxyethyl]piperidine);1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine is sourced from PubChem (CID 158104120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).