1-(4-methoxypiperidin-1-yl)but-2-en-1-one

C10H17NO2 — CID 112723226

IUPAC1-(4-methoxypiperidin-1-yl)but-2-en-1-one
SMILESCC=CC(=O)N1CCC(OC)CC1
InChIInChI=1S/C10H17NO2/c1-3-4-10(12)11-7-5-9(13-2)6-8-11/h3-4,9H,5-8H2,1-2H3
InChIKeyQBOLAZFLTJGTLS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds2

About 1-(4-methoxypiperidin-1-yl)but-2-en-1-one

1-(4-methoxypiperidin-1-yl)but-2-en-1-one (PubChem CID 112723226) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)but-2-en-1-one.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)but-2-en-1-one
PubChem CID112723226
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(4-methoxypiperidin-1-yl)but-2-en-1-one
SMILESCC=CC(=O)N1CCC(OC)CC1
InChIInChI=1S/C10H17NO2/c1-3-4-10(12)11-7-5-9(13-2)6-8-11/h3-4,9H,5-8H2,1-2H3
InChIKeyQBOLAZFLTJGTLS-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
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 1-(4-methoxypiperidin-1-yl)but-2-en-1-one?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)but-2-en-1-one (CID 112723226) is 1-(4-methoxypiperidin-1-yl)but-2-en-1-one.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)but-2-en-1-one?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)but-2-en-1-one is CC=CC(=O)N1CCC(OC)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)but-2-en-1-one?
The InChIKey is QBOLAZFLTJGTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-10(12)11-7-5-9(13-2)6-8-11/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)but-2-en-1-one?
1-(4-methoxypiperidin-1-yl)but-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)but-2-en-1-one is sourced from PubChem (CID 112723226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).