4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine

C35H69N3O3 — CID 121244682

IUPAC4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(OCC(OC2CC(C(C)C)NC(C(C)C)C2)OC2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1
InChIInChI=1S/C35H69N3O3/c1-20(2)29-13-26(14-30(36-29)21(3)4)39-19-35(40-27-15-31(22(5)6)37-32(16-27)23(7)8)41-28-17-33(24(9)10)38-34(18-28)25(11)12/h20-38H,13-19H2,1-12H3
InChIKeyOOQAKVOUDRXWSE-UHFFFAOYSA-N
MW579.96 g/mol
LogP6.77
Rot. Bonds13

About 4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine

4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine (PubChem CID 121244682) has the molecular formula C35H69N3O3 and a molecular weight of 579.96 g/mol. Its IUPAC name is 4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine
PubChem CID121244682
Molecular FormulaC35H69N3O3
Molecular Weight579.96 g/mol
Exact Mass579.53
IUPAC Name4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(OCC(OC2CC(C(C)C)NC(C(C)C)C2)OC2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1
InChIInChI=1S/C35H69N3O3/c1-20(2)29-13-26(14-30(36-29)21(3)4)39-19-35(40-27-15-31(22(5)6)37-32(16-27)23(7)8)41-28-17-33(24(9)10)38-34(18-28)25(11)12/h20-38H,13-19H2,1-12H3
InChIKeyOOQAKVOUDRXWSE-UHFFFAOYSA-N
XLogP6.77
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.96
LogP ≤ 56.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine?
The IUPAC name of 4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine (CID 121244682) is 4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine.
What is the SMILES notation for 4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine?
The canonical SMILES for 4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine is CC(C)C1CC(OCC(OC2CC(C(C)C)NC(C(C)C)C2)OC2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1.
What is the InChIKey of 4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine?
The InChIKey is OOQAKVOUDRXWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H69N3O3/c1-20(2)29-13-26(14-30(36-29)21(3)4)39-19-35(40-27-15-31(22(5)6)37-32(16-27)23(7)8)41-28-17-33(24(9)10)38-34(18-28)25(11)12/h20-38H,13-19H2,1-12H3.
What are the key properties of 4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine?
4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine has a molecular weight of 579.96 g/mol, XLogP of 6.77, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2-bis[[2,6-di(propan-2-yl)piperidin-4-yl]oxy]ethoxy]-2,6-di(propan-2-yl)piperidine is sourced from PubChem (CID 121244682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).