2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid

C13H23NO4 — CID 63904881

IUPAC2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C13H23NO4/c15-13(16)10-18-11-4-6-14(7-5-11)9-12-3-1-2-8-17-12/h11-12H,1-10H2,(H,15,16)
InChIKeyBJOOKTWKXHKHEN-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.12
Rot. Bonds5

About 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid

2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63904881) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid
PubChem CID63904881
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C13H23NO4/c15-13(16)10-18-11-4-6-14(7-5-11)9-12-3-1-2-8-17-12/h11-12H,1-10H2,(H,15,16)
InChIKeyBJOOKTWKXHKHEN-UHFFFAOYSA-N
XLogP1.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(oxane-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 55250892
2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid
CID 63877001
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
CID 79608204
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184
1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
CID 62655555
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 86324388
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
1-(oxan-2-ylmethyl)piperazine
CID 14981447

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid (CID 63904881) is 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is BJOOKTWKXHKHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c15-13(16)10-18-11-4-6-14(7-5-11)9-12-3-1-2-8-17-12/h11-12H,1-10H2,(H,15,16).
What are the key properties of 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid?
2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 257.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63904881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).