1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol

C14H29NO4 — CID 68791470

IUPAC1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
SMILESCOCC(O)COC1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C14H29NO4/c1-13(2)7-12(19-10-11(16)9-17-5)8-14(3,4)15(13)18-6/h11-12,16H,7-10H2,1-6H3
InChIKeyXCBLUJHACUYKJN-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.59
Rot. Bonds6

About 1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol

1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol (PubChem CID 68791470) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
PubChem CID68791470
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
SMILESCOCC(O)COC1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C14H29NO4/c1-13(2)7-12(19-10-11(16)9-17-5)8-14(3,4)15(13)18-6/h11-12,16H,7-10H2,1-6H3
InChIKeyXCBLUJHACUYKJN-UHFFFAOYSA-N
XLogP1.59
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
The IUPAC name of 1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol (CID 68791470) is 1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol.
What is the SMILES notation for 1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
The canonical SMILES for 1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol is COCC(O)COC1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of 1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
The InChIKey is XCBLUJHACUYKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-13(2)7-12(19-10-11(16)9-17-5)8-14(3,4)15(13)18-6/h11-12,16H,7-10H2,1-6H3.
What are the key properties of 1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol?
1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol is sourced from PubChem (CID 68791470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).