2-(1-but-2-enylpiperidin-4-yl)acetic acid

C11H19NO2 — CID 79606050

IUPAC2-(1-but-2-enylpiperidin-4-yl)acetic acid
SMILESCC=CCN1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H19NO2/c1-2-3-6-12-7-4-10(5-8-12)9-11(13)14/h2-3,10H,4-9H2,1H3,(H,13,14)
InChIKeyROMOKPDVQIQONE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds4

About 2-(1-but-2-enylpiperidin-4-yl)acetic acid

2-(1-but-2-enylpiperidin-4-yl)acetic acid (PubChem CID 79606050) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-but-2-enylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-but-2-enylpiperidin-4-yl)acetic acid
PubChem CID79606050
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(1-but-2-enylpiperidin-4-yl)acetic acid
SMILESCC=CCN1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H19NO2/c1-2-3-6-12-7-4-10(5-8-12)9-11(13)14/h2-3,10H,4-9H2,1H3,(H,13,14)
InChIKeyROMOKPDVQIQONE-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-but-2-enylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(1-but-2-enylpiperidin-4-yl)acetic acid (CID 79606050) is 2-(1-but-2-enylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-but-2-enylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-but-2-enylpiperidin-4-yl)acetic acid is CC=CCN1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-(1-but-2-enylpiperidin-4-yl)acetic acid?
The InChIKey is ROMOKPDVQIQONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-3-6-12-7-4-10(5-8-12)9-11(13)14/h2-3,10H,4-9H2,1H3,(H,13,14).
What are the key properties of 2-(1-but-2-enylpiperidin-4-yl)acetic acid?
2-(1-but-2-enylpiperidin-4-yl)acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-2-enylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 79606050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).