2-(1-heptylpiperidin-4-yl)oxyacetic acid

C14H27NO3 — CID 63905083

IUPAC2-(1-heptylpiperidin-4-yl)oxyacetic acid
SMILESCCCCCCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H27NO3/c1-2-3-4-5-6-9-15-10-7-13(8-11-15)18-12-14(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyKZIYHHOUQAYWTR-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.52
Rot. Bonds9

About 2-(1-heptylpiperidin-4-yl)oxyacetic acid

2-(1-heptylpiperidin-4-yl)oxyacetic acid (PubChem CID 63905083) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-(1-heptylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-heptylpiperidin-4-yl)oxyacetic acid
PubChem CID63905083
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-(1-heptylpiperidin-4-yl)oxyacetic acid
SMILESCCCCCCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H27NO3/c1-2-3-4-5-6-9-15-10-7-13(8-11-15)18-12-14(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyKZIYHHOUQAYWTR-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid
CID 65180545
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
CID 63904708
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 112590618
2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
CID 138726762
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid
CID 114494954
2-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxyacetic acid
CID 63905111
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
CID 152664837
2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 55252054

Frequently Asked Questions

What is the IUPAC name of 2-(1-heptylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-heptylpiperidin-4-yl)oxyacetic acid (CID 63905083) is 2-(1-heptylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-heptylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-heptylpiperidin-4-yl)oxyacetic acid is CCCCCCCN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-(1-heptylpiperidin-4-yl)oxyacetic acid?
The InChIKey is KZIYHHOUQAYWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-3-4-5-6-9-15-10-7-13(8-11-15)18-12-14(16)17/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of 2-(1-heptylpiperidin-4-yl)oxyacetic acid?
2-(1-heptylpiperidin-4-yl)oxyacetic acid has a molecular weight of 257.37 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-heptylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 63905083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).