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

C13H25NO4 — CID 114494954

IUPAC2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid
SMILESCCC(O)(CC)CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H25NO4/c1-3-13(17,4-2)10-14-7-5-11(6-8-14)18-9-12(15)16/h11,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyQHVIBKPFDUFIKO-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.10
Rot. Bonds7

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

2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid (PubChem CID 114494954) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid
PubChem CID114494954
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid
SMILESCCC(O)(CC)CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H25NO4/c1-3-13(17,4-2)10-14-7-5-11(6-8-14)18-9-12(15)16/h11,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyQHVIBKPFDUFIKO-UHFFFAOYSA-N
XLogP1.10
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)oxy)acetic acid
CID 1502082
2-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}oxy)propanoic acid
CID 50853305
2-[(1-Methylpiperidin-4-yl)oxy]acetic acid hydrochloride
CID 122236319
1-(2-Ethoxyethyl)-4-carboxy-4-oxypiperidine
CID 12032076
1-(2-Ethoxyethyl)-4-acetoxypiperidine-4-carboxylic acid hydrochloride
CID 24842594
2-((1-(tert-Butoxycarbonyl)piperidin-4-yl)oxy)-2-oxoacetic acid
CID 138967384
2-Ethoxy-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 65545728
2-[4-(2-Ethoxy-2-oxoethoxy)piperidino]acetic acid
CID 17906661
2-(1-Tert-butylpiperidin-4-yl)oxyacetic acid
CID 19439018
2-[(1-Ethylpiperidin-4-YL)oxy]acetic acid
CID 19439135
5-Azoniaspiro[4.5]decan-3-yl 2-ethyl-2-hydroxybutanoate bromide
CID 20334126
5-Azoniaspiro[4.5]decan-3-yl 2-ethyl-2-hydroxybutanoate
CID 20334127

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid (CID 114494954) is 2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid is CCC(O)(CC)CN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is QHVIBKPFDUFIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-13(17,4-2)10-14-7-5-11(6-8-14)18-9-12(15)16/h11,17H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 259.35 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 114494954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).