1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol

C13H27NO4 — CID 106991203

IUPAC1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol
SMILESCOCC(C)OCC(O)COCC1CCNCC1
InChIInChI=1S/C13H27NO4/c1-11(7-16-2)18-10-13(15)9-17-8-12-3-5-14-6-4-12/h11-15H,3-10H2,1-2H3
InChIKeyDTFOVHQDEVOTTC-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.41
Rot. Bonds9

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

1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol (PubChem CID 106991203) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol
PubChem CID106991203
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol
SMILESCOCC(C)OCC(O)COCC1CCNCC1
InChIInChI=1S/C13H27NO4/c1-11(7-16-2)18-10-13(15)9-17-8-12-3-5-14-6-4-12/h11-15H,3-10H2,1-2H3
InChIKeyDTFOVHQDEVOTTC-UHFFFAOYSA-N
XLogP0.41
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol
CID 106991198
1-(cyclopropylmethoxy)-3-methoxypropan-2-ol
CID 59975026
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol
CID 106938106
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
4-(2,2-difluoroethoxymethyl)piperidine
CID 62340537
1-(2-amino-2-methylpropoxy)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991230
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
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106992774

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol (CID 106991203) is 1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol is COCC(C)OCC(O)COCC1CCNCC1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol?
The InChIKey is DTFOVHQDEVOTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-11(7-16-2)18-10-13(15)9-17-8-12-3-5-14-6-4-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 0.41, 9 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-ylmethoxy)propan-2-ol is sourced from PubChem (CID 106991203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).