2-(1-methylpiperidin-4-ylidene)acetic acid

C8H13NO2 — CID 6484196

IUPAC2-(1-methylpiperidin-4-ylidene)acetic acid
SMILESCN1CCC(=CC(=O)O)CC1
InChIInChI=1S/C8H13NO2/c1-9-4-2-7(3-5-9)6-8(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyFSANUZUEUHEXEH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.72
Rot. Bonds1

About 2-(1-methylpiperidin-4-ylidene)acetic acid

2-(1-methylpiperidin-4-ylidene)acetic acid (PubChem CID 6484196) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-ylidene)acetic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-ylidene)acetic acid
PubChem CID6484196
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(1-methylpiperidin-4-ylidene)acetic acid
SMILESCN1CCC(=CC(=O)O)CC1
InChIInChI=1S/C8H13NO2/c1-9-4-2-7(3-5-9)6-8(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyFSANUZUEUHEXEH-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-ylidene)acetic acid?
The IUPAC name of 2-(1-methylpiperidin-4-ylidene)acetic acid (CID 6484196) is 2-(1-methylpiperidin-4-ylidene)acetic acid.
What is the SMILES notation for 2-(1-methylpiperidin-4-ylidene)acetic acid?
The canonical SMILES for 2-(1-methylpiperidin-4-ylidene)acetic acid is CN1CCC(=CC(=O)O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-ylidene)acetic acid?
The InChIKey is FSANUZUEUHEXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-4-2-7(3-5-9)6-8(10)11/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(1-methylpiperidin-4-ylidene)acetic acid?
2-(1-methylpiperidin-4-ylidene)acetic acid has a molecular weight of 155.20 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-ylidene)acetic acid is sourced from PubChem (CID 6484196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).