1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol

C12H25NO4 — CID 106991198

IUPAC1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol
SMILESCOCC(C)OCC(O)COC1CCNCC1
InChIInChI=1S/C12H25NO4/c1-10(7-15-2)16-8-11(14)9-17-12-3-5-13-6-4-12/h10-14H,3-9H2,1-2H3
InChIKeyIORXJHJDXIKHPU-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.17
Rot. Bonds8

About 1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol

1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol (PubChem CID 106991198) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol
PubChem CID106991198
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol
SMILESCOCC(C)OCC(O)COC1CCNCC1
InChIInChI=1S/C12H25NO4/c1-10(7-15-2)16-8-11(14)9-17-12-3-5-13-6-4-12/h10-14H,3-9H2,1-2H3
InChIKeyIORXJHJDXIKHPU-UHFFFAOYSA-N
XLogP0.17
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol
CID 106991203
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol
CID 106940494
(2R)-3-[(3R)-pyrrolidin-3-yl]oxypropane-1,2-diol
CID 141146160
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 114042479
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one
CID 106991328
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-piperidin-4-yloxyacetamide
CID 55252350
1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
CID 106992842
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
N-(1-methoxypropan-2-yl)-N-methyl-2-piperidin-4-yloxyacetamide
CID 63876735
1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol
CID 106941145

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol (CID 106991198) is 1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol is COCC(C)OCC(O)COC1CCNCC1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol?
The InChIKey is IORXJHJDXIKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-10(7-15-2)16-8-11(14)9-17-12-3-5-13-6-4-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol has a molecular weight of 247.33 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol is sourced from PubChem (CID 106991198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).