1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone

C11H19FN2O — CID 171566418

IUPAC1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(/C=C/CCN)CC1
InChIInChI=1S/C11H19FN2O/c1-10(15)14-8-5-11(12,6-9-14)4-2-3-7-13/h2,4H,3,5-9,13H2,1H3/b4-2+
InChIKeyXVMAPEPXVCUGCS-DUXPYHPUSA-N
MW214.28 g/mol
LogP1.24
Rot. Bonds3

About 1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone

1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone (PubChem CID 171566418) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone
PubChem CID171566418
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(/C=C/CCN)CC1
InChIInChI=1S/C11H19FN2O/c1-10(15)14-8-5-11(12,6-9-14)4-2-3-7-13/h2,4H,3,5-9,13H2,1H3/b4-2+
InChIKeyXVMAPEPXVCUGCS-DUXPYHPUSA-N
XLogP1.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]acetamide
CID 68027847
N-[2-[4-[(2-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 70287945
N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 70289362
1-[4-fluoro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-1-yl]ethanone
CID 130217046
4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride
CID 142280895
2,2,2-trifluoro-N-[(3E)-4-piperidin-4-yl-2-propan-2-ylidenehexa-3,5-dienyl]acetamide
CID 144211466
3-[[(E)-2,2-difluoropent-3-enyl]amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 171492766
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 71866672
2,2,2-trifluoro-N-[[1-[(E)-pent-2-enoyl]piperidin-4-yl]methyl]acetamide
CID 108932933
(E)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide
CID 108932934
2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide
CID 108932935
(E)-4-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide
CID 108932936

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone (CID 171566418) is 1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone is CC(=O)N1CCC(F)(/C=C/CCN)CC1.
What is the InChIKey of 1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone?
The InChIKey is XVMAPEPXVCUGCS-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-10(15)14-8-5-11(12,6-9-14)4-2-3-7-13/h2,4H,3,5-9,13H2,1H3/b4-2+.
What are the key properties of 1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone?
1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone has a molecular weight of 214.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone is sourced from PubChem (CID 171566418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).