methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate

C13H25NO4 — CID 63932803

IUPACmethyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
SMILESCCOCC(O)CN1CCCCC1CC(=O)OC
InChIInChI=1S/C13H25NO4/c1-3-18-10-12(15)9-14-7-5-4-6-11(14)8-13(16)17-2/h11-12,15H,3-10H2,1-2H3
InChIKeyWZMWAMJEDCPSII-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.80
Rot. Bonds7

About methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate

methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate (PubChem CID 63932803) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
PubChem CID63932803
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namemethyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
SMILESCCOCC(O)CN1CCCCC1CC(=O)OC
InChIInChI=1S/C13H25NO4/c1-3-18-10-12(15)9-14-7-5-4-6-11(14)8-13(16)17-2/h11-12,15H,3-10H2,1-2H3
InChIKeyWZMWAMJEDCPSII-UHFFFAOYSA-N
XLogP0.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate
CID 82851116
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
CID 63933195
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol
CID 63932604
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993028
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
CID 121006441
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
methyl 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 62027896
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
CID 106990753

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate (CID 63932803) is methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate is CCOCC(O)CN1CCCCC1CC(=O)OC.
What is the InChIKey of methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate?
The InChIKey is WZMWAMJEDCPSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-18-10-12(15)9-14-7-5-4-6-11(14)8-13(16)17-2/h11-12,15H,3-10H2,1-2H3.
What are the key properties of methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate?
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate has a molecular weight of 259.35 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate is sourced from PubChem (CID 63932803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).