2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid

C14H27NO6 — CID 104564872

IUPAC2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
SMILESCOCCOCCOCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H27NO6/c1-18-8-9-20-11-10-19-7-6-15-4-2-13(3-5-15)21-12-14(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyRDCIRWNTUPJBBI-UHFFFAOYSA-N
MW305.37 g/mol
LogP0.23
Rot. Bonds12

About 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 104564872) has the molecular formula C14H27NO6 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
PubChem CID104564872
Molecular FormulaC14H27NO6
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
SMILESCOCCOCCOCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H27NO6/c1-18-8-9-20-11-10-19-7-6-15-4-2-13(3-5-15)21-12-14(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyRDCIRWNTUPJBBI-UHFFFAOYSA-N
XLogP0.23
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)oxy)acetic acid
CID 1502082
(R)-3-Carboxymethoxy-piperidine-1-carboxylic acid tert-butyl ester
CID 31164575
(S)-3-Carboxymethoxy-piperidine-1-carboxylic acid tert-butyl ester
CID 40429387
2-({1-[(Tert-butoxy)carbonyl]piperidin-3-yl}oxy)acetic acid
CID 42614544
2-[(1-Methylpiperidin-4-yl)oxy]acetic acid hydrochloride
CID 122236319
2-[2-(Piperidin-1-yl)ethoxy]acetic acid hydrochloride
CID 137331826
2-((1-Methylpiperidin-4-yl)oxy)acetic acid
CID 20719673
2-[2-(Piperidin-1-yl)ethoxy]acetic acid
CID 23449728
2-(3,5-Difluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134533988
2-(5-Fluoro-1-methylpiperidin-3-yl)oxyacetic acid
CID 134533993
2-(3-Fluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134534000
2-(5,5-Difluoro-1-methylpiperidin-3-yl)oxyacetic acid
CID 134534013

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid (CID 104564872) is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid is COCCOCCOCCN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is RDCIRWNTUPJBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO6/c1-18-8-9-20-11-10-19-7-6-15-4-2-13(3-5-15)21-12-14(16)17/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 305.37 g/mol, XLogP of 0.23, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 104564872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).