4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine

C39H69N3O3 — CID 121244698

IUPAC4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(Oc2cc(OC3CC(C(C)C)NC(C(C)C)C3)cc(OC3CC(C(C)C)NC(C(C)C)C3)c2)CC(C(C)C)N1
InChIInChI=1S/C39H69N3O3/c1-22(2)34-16-31(17-35(40-34)23(3)4)43-28-13-29(44-32-18-36(24(5)6)41-37(19-32)25(7)8)15-30(14-28)45-33-20-38(26(9)10)42-39(21-33)27(11)12/h13-15,22-27,31-42H,16-21H2,1-12H3
InChIKeyBRBDRYSDJPPNJF-UHFFFAOYSA-N
MW628.00 g/mol
LogP8.23
Rot. Bonds12

About 4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine

4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine (PubChem CID 121244698) has the molecular formula C39H69N3O3 and a molecular weight of 628.00 g/mol. Its IUPAC name is 4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine
PubChem CID121244698
Molecular FormulaC39H69N3O3
Molecular Weight628.00 g/mol
Exact Mass627.53
IUPAC Name4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(Oc2cc(OC3CC(C(C)C)NC(C(C)C)C3)cc(OC3CC(C(C)C)NC(C(C)C)C3)c2)CC(C(C)C)N1
InChIInChI=1S/C39H69N3O3/c1-22(2)34-16-31(17-35(40-34)23(3)4)43-28-13-29(44-32-18-36(24(5)6)41-37(19-32)25(7)8)15-30(14-28)45-33-20-38(26(9)10)42-39(21-33)27(11)12/h13-15,22-27,31-42H,16-21H2,1-12H3
InChIKeyBRBDRYSDJPPNJF-UHFFFAOYSA-N
XLogP8.23
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.00
LogP ≤ 58.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine?
The IUPAC name of 4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine (CID 121244698) is 4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine.
What is the SMILES notation for 4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine?
The canonical SMILES for 4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine is CC(C)C1CC(Oc2cc(OC3CC(C(C)C)NC(C(C)C)C3)cc(OC3CC(C(C)C)NC(C(C)C)C3)c2)CC(C(C)C)N1.
What is the InChIKey of 4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine?
The InChIKey is BRBDRYSDJPPNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H69N3O3/c1-22(2)34-16-31(17-35(40-34)23(3)4)43-28-13-29(44-32-18-36(24(5)6)41-37(19-32)25(7)8)15-30(14-28)45-33-20-38(26(9)10)42-39(21-33)27(11)12/h13-15,22-27,31-42H,16-21H2,1-12H3.
What are the key properties of 4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine?
4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine has a molecular weight of 628.00 g/mol, XLogP of 8.23, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]phenoxy]-2,6-di(propan-2-yl)piperidine is sourced from PubChem (CID 121244698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).