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

C12H23NO4 — CID 65180545

IUPAC2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid
SMILESCCOCCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H23NO4/c1-2-16-9-3-6-13-7-4-11(5-8-13)17-10-12(14)15/h11H,2-10H2,1H3,(H,14,15)
InChIKeyDIZLJBVQSOTZLF-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.98
Rot. Bonds8

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

2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid (PubChem CID 65180545) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid
PubChem CID65180545
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid
SMILESCCOCCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H23NO4/c1-2-16-9-3-6-13-7-4-11(5-8-13)17-10-12(14)15/h11H,2-10H2,1H3,(H,14,15)
InChIKeyDIZLJBVQSOTZLF-UHFFFAOYSA-N
XLogP0.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 112590618
2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
CID 63932800
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
CID 63904708
2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid
CID 163629544
2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
CID 138726762
2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid
CID 114494954
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
CID 152664837

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid (CID 65180545) is 2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid is CCOCCCN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is DIZLJBVQSOTZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-2-16-9-3-6-13-7-4-11(5-8-13)17-10-12(14)15/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of 2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid?
2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 245.32 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65180545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).