1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone

C11H19NO — CID 59661928

IUPAC1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone
SMILESC=C(C)CN1CCCCC1C(C)=O
InChIInChI=1S/C11H19NO/c1-9(2)8-12-7-5-4-6-11(12)10(3)13/h11H,1,4-8H2,2-3H3
InChIKeyFYKIUFJAPBKCSB-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.01
Rot. Bonds3

About 1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone

1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone (PubChem CID 59661928) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone
PubChem CID59661928
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone
SMILESC=C(C)CN1CCCCC1C(C)=O
InChIInChI=1S/C11H19NO/c1-9(2)8-12-7-5-4-6-11(12)10(3)13/h11H,1,4-8H2,2-3H3
InChIKeyFYKIUFJAPBKCSB-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.01
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-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone (CID 59661928) is 1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone is C=C(C)CN1CCCCC1C(C)=O.
What is the InChIKey of 1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone?
The InChIKey is FYKIUFJAPBKCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)8-12-7-5-4-6-11(12)10(3)13/h11H,1,4-8H2,2-3H3.
What are the key properties of 1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone?
1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone has a molecular weight of 181.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylprop-2-enyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 59661928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).