1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol

C37H74N2O5 — CID 19099907

IUPAC1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol
SMILESCCCCCCCCON1C(C)(C)CC(OCC(O)COC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C37H74N2O5/c1-11-13-15-17-19-21-23-43-38-34(3,4)25-32(26-35(38,5)6)41-29-31(40)30-42-33-27-36(7,8)39(37(9,10)28-33)44-24-22-20-18-16-14-12-2/h31-33,40H,11-30H2,1-10H3
InChIKeyRFOVWMNKTOZJJT-UHFFFAOYSA-N
MW627.01 g/mol
LogP9.01
Rot. Bonds22

About 1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol

1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol (PubChem CID 19099907) has the molecular formula C37H74N2O5 and a molecular weight of 627.01 g/mol. Its IUPAC name is 1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol
PubChem CID19099907
Molecular FormulaC37H74N2O5
Molecular Weight627.01 g/mol
Exact Mass626.56
IUPAC Name1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol
SMILESCCCCCCCCON1C(C)(C)CC(OCC(O)COC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C37H74N2O5/c1-11-13-15-17-19-21-23-43-38-34(3,4)25-32(26-35(38,5)6)41-29-31(40)30-42-33-27-36(7,8)39(37(9,10)28-33)44-24-22-20-18-16-14-12-2/h31-33,40H,11-30H2,1-10H3
InChIKeyRFOVWMNKTOZJJT-UHFFFAOYSA-N
XLogP9.01
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.01
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol?
The IUPAC name of 1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol (CID 19099907) is 1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol.
What is the SMILES notation for 1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol?
The canonical SMILES for 1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol is CCCCCCCCON1C(C)(C)CC(OCC(O)COC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol?
The InChIKey is RFOVWMNKTOZJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74N2O5/c1-11-13-15-17-19-21-23-43-38-34(3,4)25-32(26-35(38,5)6)41-29-31(40)30-42-33-27-36(7,8)39(37(9,10)28-33)44-24-22-20-18-16-14-12-2/h31-33,40H,11-30H2,1-10H3.
What are the key properties of 1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol?
1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol has a molecular weight of 627.01 g/mol, XLogP of 9.01, 22 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]propan-2-ol is sourced from PubChem (CID 19099907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).