2-piperidin-4-ylidenepropanoic acid

C8H13NO2 — CID 142139231

IUPAC2-piperidin-4-ylidenepropanoic acid
SMILESCC(C(=O)O)=C1CCNCC1
InChIInChI=1S/C8H13NO2/c1-6(8(10)11)7-2-4-9-5-3-7/h9H,2-5H2,1H3,(H,10,11)
InChIKeyYNIQXOOUFISYGI-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds1

About 2-piperidin-4-ylidenepropanoic acid

2-piperidin-4-ylidenepropanoic acid (PubChem CID 142139231) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-piperidin-4-ylidenepropanoic acid.

Molecular Properties

Compound Name2-piperidin-4-ylidenepropanoic acid
PubChem CID142139231
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-piperidin-4-ylidenepropanoic acid
SMILESCC(C(=O)O)=C1CCNCC1
InChIInChI=1S/C8H13NO2/c1-6(8(10)11)7-2-4-9-5-3-7/h9H,2-5H2,1H3,(H,10,11)
InChIKeyYNIQXOOUFISYGI-UHFFFAOYSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Piperidin-4-ylidene)acetic acid
CID 15565784
2-Fluoro-2-(piperidin-4-ylidene)acetic acid
CID 130778205
(2Z)-2-(3-fluoropiperidin-4-ylidene)acetic acid
CID 175401709
2-(3-Fluoropiperidin-4-ylidene)acetic acid
CID 175401711
(2E)-2-(3-fluoropiperidin-4-ylidene)acetic acid
CID 175401740
2-(1-Methylpiperidin-1-ium-4-ylidene)acetate
CID 7219884
(2Z)-2-piperidin-3-ylideneacetic acid
CID 20140791
4-Propan-2-yl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
CID 59492394
Methyl 2-piperidin-4-ylidenepropanoate
CID 59964591
(2E)-2-piperidin-3-ylideneacetic acid
CID 66682742
2-Piperidin-3-ylideneacetic acid
CID 66682744
(2E)-2-(3-methylpiperidin-4-ylidene)butanoic acid
CID 67197280

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylidenepropanoic acid?
The IUPAC name of 2-piperidin-4-ylidenepropanoic acid (CID 142139231) is 2-piperidin-4-ylidenepropanoic acid.
What is the SMILES notation for 2-piperidin-4-ylidenepropanoic acid?
The canonical SMILES for 2-piperidin-4-ylidenepropanoic acid is CC(C(=O)O)=C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylidenepropanoic acid?
The InChIKey is YNIQXOOUFISYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(8(10)11)7-2-4-9-5-3-7/h9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-piperidin-4-ylidenepropanoic acid?
2-piperidin-4-ylidenepropanoic acid has a molecular weight of 155.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylidenepropanoic acid is sourced from PubChem (CID 142139231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).