2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid

C13H19NO3 — CID 173143860

IUPAC2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCC(OC2=CCCC=C2)CC1
InChIInChI=1S/C13H19NO3/c15-13(16)10-14-8-6-12(7-9-14)17-11-4-2-1-3-5-11/h2,4-5,12H,1,3,6-10H2,(H,15,16)
InChIKeyHCOUDBYGFLVGBB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.79
Rot. Bonds4

About 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid

2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid (PubChem CID 173143860) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid
PubChem CID173143860
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCC(OC2=CCCC=C2)CC1
InChIInChI=1S/C13H19NO3/c15-13(16)10-14-8-6-12(7-9-14)17-11-4-2-1-3-5-11/h2,4-5,12H,1,3,6-10H2,(H,15,16)
InChIKeyHCOUDBYGFLVGBB-UHFFFAOYSA-N
XLogP1.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid?
The IUPAC name of 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid (CID 173143860) is 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid is O=C(O)CN1CCC(OC2=CCCC=C2)CC1.
What is the InChIKey of 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid?
The InChIKey is HCOUDBYGFLVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-13(16)10-14-8-6-12(7-9-14)17-11-4-2-1-3-5-11/h2,4-5,12H,1,3,6-10H2,(H,15,16).
What are the key properties of 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid?
2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid is sourced from PubChem (CID 173143860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).