4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine

C63H93N3O6 — CID 121244701

IUPAC4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine
SMILESCC(ON1C(C)(C)CC(Oc2cc(OC3CC(C)(C)N(OC(C)c4ccccc4)C(C)(C(C)C)C3)cc(OC3CC(C)(C)N(OC(C)c4ccccc4)C(C)(C(C)C)C3)c2)CC1(C)C(C)C)c1ccccc1
InChIInChI=1S/C63H93N3O6/c1-43(2)61(16)40-55(37-58(10,11)64(61)70-46(7)49-28-22-19-23-29-49)67-52-34-53(68-56-38-59(12,13)65(62(17,41-56)44(3)4)71-47(8)50-30-24-20-25-31-50)36-54(35-52)69-57-39-60(14,15)66(63(18,42-57)45(5)6)72-48(9)51-32-26-21-27-33-51/h19-36,43-48,55-57H,37-42H2,1-18H3
InChIKeyUKUNQORCMUFCCH-UHFFFAOYSA-N
MW988.45 g/mol
LogP15.87
Rot. Bonds18

About 4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine

4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine (PubChem CID 121244701) has the molecular formula C63H93N3O6 and a molecular weight of 988.45 g/mol. Its IUPAC name is 4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine
PubChem CID121244701
Molecular FormulaC63H93N3O6
Molecular Weight988.45 g/mol
Exact Mass987.71
IUPAC Name4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine
SMILESCC(ON1C(C)(C)CC(Oc2cc(OC3CC(C)(C)N(OC(C)c4ccccc4)C(C)(C(C)C)C3)cc(OC3CC(C)(C)N(OC(C)c4ccccc4)C(C)(C(C)C)C3)c2)CC1(C)C(C)C)c1ccccc1
InChIInChI=1S/C63H93N3O6/c1-43(2)61(16)40-55(37-58(10,11)64(61)70-46(7)49-28-22-19-23-29-49)67-52-34-53(68-56-38-59(12,13)65(62(17,41-56)44(3)4)71-47(8)50-30-24-20-25-31-50)36-54(35-52)69-57-39-60(14,15)66(63(18,42-57)45(5)6)72-48(9)51-32-26-21-27-33-51/h19-36,43-48,55-57H,37-42H2,1-18H3
InChIKeyUKUNQORCMUFCCH-UHFFFAOYSA-N
XLogP15.87
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.45
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine?
The IUPAC name of 4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine (CID 121244701) is 4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine.
What is the SMILES notation for 4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine?
The canonical SMILES for 4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine is CC(ON1C(C)(C)CC(Oc2cc(OC3CC(C)(C)N(OC(C)c4ccccc4)C(C)(C(C)C)C3)cc(OC3CC(C)(C)N(OC(C)c4ccccc4)C(C)(C(C)C)C3)c2)CC1(C)C(C)C)c1ccccc1.
What is the InChIKey of 4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine?
The InChIKey is UKUNQORCMUFCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H93N3O6/c1-43(2)61(16)40-55(37-58(10,11)64(61)70-46(7)49-28-22-19-23-29-49)67-52-34-53(68-56-38-59(12,13)65(62(17,41-56)44(3)4)71-47(8)50-30-24-20-25-31-50)36-54(35-52)69-57-39-60(14,15)66(63(18,42-57)45(5)6)72-48(9)51-32-26-21-27-33-51/h19-36,43-48,55-57H,37-42H2,1-18H3.
What are the key properties of 4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine?
4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine has a molecular weight of 988.45 g/mol, XLogP of 15.87, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine is sourced from PubChem (CID 121244701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).