3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid

C14H27NO4 — CID 81046673

IUPAC3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid
SMILESCOCCOCCN1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H27NO4/c1-12(10-14(16)17)13-4-3-5-15(11-13)6-7-19-9-8-18-2/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyGDWSIKMXNWSKLT-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.47
Rot. Bonds9

About 3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid

3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid (PubChem CID 81046673) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid
PubChem CID81046673
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid
SMILESCOCCOCCN1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H27NO4/c1-12(10-14(16)17)13-4-3-5-15(11-13)6-7-19-9-8-18-2/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyGDWSIKMXNWSKLT-UHFFFAOYSA-N
XLogP1.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.47
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

3-(1-nonylpiperidin-3-yl)butanoic acid
CID 81047349
3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid
CID 81047036
3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid
CID 81048822
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
3-[1-(2-propylsulfonylethyl)piperidin-3-yl]butanoic acid
CID 106727653
3-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]butanoic acid
CID 81046421
3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
CID 81046195
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanol
CID 174389909
3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81049194
3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
CID 81046095
3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567095
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid (CID 81046673) is 3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid is COCCOCCN1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid?
The InChIKey is GDWSIKMXNWSKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-12(10-14(16)17)13-4-3-5-15(11-13)6-7-19-9-8-18-2/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid?
3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid has a molecular weight of 273.37 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).