2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid

C12H23NO5 — CID 63932800

IUPAC2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
SMILESCCOCC(O)CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H23NO5/c1-2-17-8-10(14)7-13-5-3-11(4-6-13)18-9-12(15)16/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyUQPWKYFOLPGJFN-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.05
Rot. Bonds8

About 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid

2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63932800) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
PubChem CID63932800
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
SMILESCCOCC(O)CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H23NO5/c1-2-17-8-10(14)7-13-5-3-11(4-6-13)18-9-12(15)16/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyUQPWKYFOLPGJFN-UHFFFAOYSA-N
XLogP-0.05
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
CID 103159381
2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid
CID 65180545
3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid
CID 106991448
2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
CID 63904700
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol
CID 132971163
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid (CID 63932800) is 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid is CCOCC(O)CN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is UQPWKYFOLPGJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-2-17-8-10(14)7-13-5-3-11(4-6-13)18-9-12(15)16/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid?
2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 261.32 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63932800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).