1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone

C15H28N2O — CID 91586355

IUPAC1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone
SMILESCC=C(C)C1CCN(C(=O)CN(CC)CC)CC1
InChIInChI=1S/C15H28N2O/c1-5-13(4)14-8-10-17(11-9-14)15(18)12-16(6-2)7-3/h5,14H,6-12H2,1-4H3
InChIKeyFBYNMSJXNVGKJV-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.53
Rot. Bonds5

About 1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone

1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone (PubChem CID 91586355) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone.

Molecular Properties

Compound Name1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone
PubChem CID91586355
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone
SMILESCC=C(C)C1CCN(C(=O)CN(CC)CC)CC1
InChIInChI=1S/C15H28N2O/c1-5-13(4)14-8-10-17(11-9-14)15(18)12-16(6-2)7-3/h5,14H,6-12H2,1-4H3
InChIKeyFBYNMSJXNVGKJV-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
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 1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone?
The IUPAC name of 1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone (CID 91586355) is 1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone.
What is the SMILES notation for 1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone?
The canonical SMILES for 1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone is CC=C(C)C1CCN(C(=O)CN(CC)CC)CC1.
What is the InChIKey of 1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone?
The InChIKey is FBYNMSJXNVGKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-13(4)14-8-10-17(11-9-14)15(18)12-16(6-2)7-3/h5,14H,6-12H2,1-4H3.
What are the key properties of 1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone?
1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone has a molecular weight of 252.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone is sourced from PubChem (CID 91586355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).