1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane)

C138H275N13O12 — CID 162099151

About 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane)

1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane) (PubChem CID 162099151) has the molecular formula C138H275N13O12 and a molecular weight of 2308.80 g/mol. Its IUPAC name is 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane).

Molecular Properties

• Compound Name: 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane)
• PubChem CID: 162099151
• Molecular Formula: C138H275N13O12
• Molecular Weight: 2308.80 g/mol
• Exact Mass: 2307.13
• IUPAC Name: 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane)
• SMILES: CC(C)(C)CN1CCCN(CCOC(C)(C)C)C1.CC(C)(C)CN1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCCC1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCCCCCOc1cc(C(C)(C)C)ccc1N.CC(C)(C)OCCCN1CCN(CCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCNc1ccc(C(C)(C)C)cc1.CC(C)(C)OCC[C@@H]1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCC[C@H]1CCCN(CCOC(C)(C)C)C1
• InChI: InChI=1S/C22H46N4O.C19H33NO2.3C17H35NO2.C16H27NO.2C15H32N2O/c1-21(2,3)26-18-16-24(17-19-26)10-7-9-23-12-14-25(15-13-23)11-8-20-27-22(4,5)6;1-18(2,3)15-10-11-16(20)17(14-15)21-12-8-7-9-13-22-19(4,5)6;3*1-16(2,3)19-12-9-15-8-7-10-18(14-15)11-13-20-17(4,5)6;1-15(2,3)13-7-9-14(10-8-13)17-11-12-18-16(4,5)6;2*1-14(2,3)12-17-9-7-8-16(13-17)10-11-18-15(4,5)6/h7-20H2,1-6H3;10-11,14H,7-9,12-13,20H2,1-6H3;3*15H,7-14H2,1-6H3;7-10,17H,11-12H2,1-6H3;2*7-13H2,1-6H3/t;;2*15-;;;;/m..10..../s1
• InChIKey: ZEQMRQTUYFXVJO-VUJFDHNHSA-N
• XLogP: 28.54
• TPSA: 184.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 45
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2308.80
LogP ≤ 5	28.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane)?

The IUPAC name of 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane) (CID 162099151) is 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane).

What is the SMILES notation for 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane)?

The canonical SMILES for 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane) is CC(C)(C)CN1CCCN(CCOC(C)(C)C)C1.CC(C)(C)CN1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCCC1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCCCCCOc1cc(C(C)(C)C)ccc1N.CC(C)(C)OCCCN1CCN(CCCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCNc1ccc(C(C)(C)C)cc1.CC(C)(C)OCC[C@@H]1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCC[C@H]1CCCN(CCOC(C)(C)C)C1.

What is the InChIKey of 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane)?

The InChIKey is ZEQMRQTUYFXVJO-VUJFDHNHSA-N. The full InChI is InChI=1S/C22H46N4O.C19H33NO2.3C17H35NO2.C16H27NO.2C15H32N2O/c1-21(2,3)26-18-16-24(17-19-26)10-7-9-23-12-14-25(15-13-23)11-8-20-27-22(4,5)6;1-18(2,3)15-10-11-16(20)17(14-15)21-12-8-7-9-13-22-19(4,5)6;3*1-16(2,3)19-12-9-15-8-7-10-18(14-15)11-13-20-17(4,5)6;1-15(2,3)13-7-9-14(10-8-13)17-11-12-18-16(4,5)6;2*1-14(2,3)12-17-9-7-8-16(13-17)10-11-18-15(4,5)6/h7-20H2,1-6H3;10-11,14H,7-9,12-13,20H2,1-6H3;3*15H,7-14H2,1-6H3;7-10,17H,11-12H2,1-6H3;2*7-13H2,1-6H3/t;;2*15-;;;;/m..10..../s1.

What are the key properties of 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane)?

1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane) has a molecular weight of 2308.80 g/mol, XLogP of 28.54, 45 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-tert-butyl-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;bis(1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane) is sourced from PubChem (CID 162099151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).