1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone

C14H22N2O — CID 121183494

IUPAC1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2C3C=CCC2CC3)CC1
InChIInChI=1S/C14H22N2O/c1-11(17)15-9-7-14(8-10-15)16-12-3-2-4-13(16)6-5-12/h2-3,12-14H,4-10H2,1H3
InChIKeyUUMCGHOSHVRKLN-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.79
Rot. Bonds1

About 1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone

1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone (PubChem CID 121183494) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone
PubChem CID121183494
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2C3C=CCC2CC3)CC1
InChIInChI=1S/C14H22N2O/c1-11(17)15-9-7-14(8-10-15)16-12-3-2-4-13(16)6-5-12/h2-3,12-14H,4-10H2,1H3
InChIKeyUUMCGHOSHVRKLN-UHFFFAOYSA-N
XLogP1.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.79
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-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone (CID 121183494) is 1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(N2C3C=CCC2CC3)CC1.
What is the InChIKey of 1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone?
The InChIKey is UUMCGHOSHVRKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(17)15-9-7-14(8-10-15)16-12-3-2-4-13(16)6-5-12/h2-3,12-14H,4-10H2,1H3.
What are the key properties of 1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone?
1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone has a molecular weight of 234.34 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121183494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).