1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol

C11H23NO3 — CID 63932738

IUPAC1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCCCC1CO
InChIInChI=1S/C11H23NO3/c1-2-15-9-11(14)7-12-6-4-3-5-10(12)8-13/h10-11,13-14H,2-9H2,1H3
InChIKeyMGPRYOPSNMNLKJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.23
Rot. Bonds6

About 1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol

1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol (PubChem CID 63932738) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
PubChem CID63932738
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCCCC1CO
InChIInChI=1S/C11H23NO3/c1-2-15-9-11(14)7-12-6-4-3-5-10(12)8-13/h10-11,13-14H,2-9H2,1H3
InChIKeyMGPRYOPSNMNLKJ-UHFFFAOYSA-N
XLogP0.23
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol
CID 63932604
1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635453
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
CID 63933195
1-butoxy-3-(2-ethylazepan-1-yl)propan-2-ol
CID 107263966
(2S)-1-ethoxy-3-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 97329734
(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 124856114
(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 11923360
1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110877558

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol (CID 63932738) is 1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol is CCOCC(O)CN1CCCCC1CO.
What is the InChIKey of 1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is MGPRYOPSNMNLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-2-15-9-11(14)7-12-6-4-3-5-10(12)8-13/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 63932738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).