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

C13H25NO4 — CID 112590618

IUPAC2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid
SMILESCC(C)(C)OCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-9-8-14-6-4-11(5-7-14)17-10-12(15)16/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyOLZMQHKHIQAEOV-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.37
Rot. Bonds6

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

2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 112590618) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid
PubChem CID112590618
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid
SMILESCC(C)(C)OCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-9-8-14-6-4-11(5-7-14)17-10-12(15)16/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyOLZMQHKHIQAEOV-UHFFFAOYSA-N
XLogP1.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)oxy)acetic acid
CID 1502082
3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester
CID 3063992
(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-[(Tert-butoxy)carbonyl]piperidin-4-yl}oxy)propanoic acid
CID 50853305
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-(5-Fluoro-1-methylpiperidin-3-yl)oxyacetic acid
CID 134533993
2-(1-Ethyl-5-fluoropiperidin-3-yl)oxyacetic acid
CID 155049754

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid (CID 112590618) is 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid is CC(C)(C)OCCN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is OLZMQHKHIQAEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,3)18-9-8-14-6-4-11(5-7-14)17-10-12(15)16/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 259.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 112590618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).