1-(4-pent-4-enylpiperidin-1-yl)ethanone

C12H21NO — CID 162403313

IUPAC1-(4-pent-4-enylpiperidin-1-yl)ethanone
SMILESC=CCCCC1CCN(C(C)=O)CC1
InChIInChI=1S/C12H21NO/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h3,12H,1,4-10H2,2H3
InChIKeyQXHNYGPVVPATHX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds4

About 1-(4-pent-4-enylpiperidin-1-yl)ethanone

1-(4-pent-4-enylpiperidin-1-yl)ethanone (PubChem CID 162403313) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(4-pent-4-enylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-pent-4-enylpiperidin-1-yl)ethanone
PubChem CID162403313
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(4-pent-4-enylpiperidin-1-yl)ethanone
SMILESC=CCCCC1CCN(C(C)=O)CC1
InChIInChI=1S/C12H21NO/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h3,12H,1,4-10H2,2H3
InChIKeyQXHNYGPVVPATHX-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pent-4-enylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-pent-4-enylpiperidin-1-yl)ethanone (CID 162403313) is 1-(4-pent-4-enylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-pent-4-enylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-pent-4-enylpiperidin-1-yl)ethanone is C=CCCCC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-pent-4-enylpiperidin-1-yl)ethanone?
The InChIKey is QXHNYGPVVPATHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h3,12H,1,4-10H2,2H3.
What are the key properties of 1-(4-pent-4-enylpiperidin-1-yl)ethanone?
1-(4-pent-4-enylpiperidin-1-yl)ethanone has a molecular weight of 195.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pent-4-enylpiperidin-1-yl)ethanone is sourced from PubChem (CID 162403313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).