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

C13H19NO4 — CID 65065324

IUPAC2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
SMILESCC(c1ccco1)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H19NO4/c1-10(12-3-2-8-17-12)14-6-4-11(5-7-14)18-9-13(15)16/h2-3,8,10-11H,4-7,9H2,1H3,(H,15,16)
InChIKeyMRQQETHPXCELNU-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.91
Rot. Bonds5

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

2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 65065324) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
PubChem CID65065324
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
SMILESCC(c1ccco1)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H19NO4/c1-10(12-3-2-8-17-12)14-6-4-11(5-7-14)18-9-13(15)16/h2-3,8,10-11H,4-7,9H2,1H3,(H,15,16)
InChIKeyMRQQETHPXCELNU-UHFFFAOYSA-N
XLogP1.91
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1S)-1-(furan-2-yl)ethyl]piperidin-4-yl]methanol
CID 95934404
2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65066035
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065329
2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065474
2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid
CID 65066046
(3S)-1-[1-(furan-2-yl)ethyl]piperidin-3-ol
CID 71633408
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-amine
CID 43535712
[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 98085589
2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid
CID 65065379
2-[1-[1-(4-bromophenyl)propyl]piperidin-4-yl]oxyacetic acid
CID 65065763
(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838455
4-[1-(furan-2-yl)ethyl]thiomorpholine
CID 130749822

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid (CID 65065324) is 2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid is CC(c1ccco1)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is MRQQETHPXCELNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(12-3-2-8-17-12)14-6-4-11(5-7-14)18-9-13(15)16/h2-3,8,10-11H,4-7,9H2,1H3,(H,15,16).
What are the key properties of 2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65065324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).