4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride

C11H19FN2O — CID 142280895

IUPAC4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride
SMILESNC/C=C/CCC1CCN(C(=O)F)CC1
InChIInChI=1S/C11H19FN2O/c12-11(15)14-8-5-10(6-9-14)4-2-1-3-7-13/h1,3,10H,2,4-9,13H2/b3-1+
InChIKeyTVOABBBGZNOUCS-HNQUOIGGSA-N
MW214.28 g/mol
LogP2.08
Rot. Bonds4

About 4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride

4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride (PubChem CID 142280895) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride
PubChem CID142280895
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride
SMILESNC/C=C/CCC1CCN(C(=O)F)CC1
InChIInChI=1S/C11H19FN2O/c12-11(15)14-8-5-10(6-9-14)4-2-1-3-7-13/h1,3,10H,2,4-9,13H2/b3-1+
InChIKeyTVOABBBGZNOUCS-HNQUOIGGSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-4-aminobut-1-enyl]-4-fluoropiperidin-1-yl]ethanone
CID 171566418
N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 133599216
4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid
CID 134227187
4-(4-Aminobut-2-enyl)piperidine-1-carboxylic acid
CID 134227189
4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide
CID 134233744
1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone
CID 134242581
4-[(Z)-2-ethenyl-4-(methylamino)but-2-enyl]piperidine-1-carbaldehyde
CID 173628479
4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-carbaldehyde
CID 6962923
4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-carbaldehyde
CID 6962925
[3-(2-Aminoethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64766311
N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide
CID 115595053
3-[(Z)-4-isocyanatobut-2-enyl]piperidine
CID 117267762

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride?
The IUPAC name of 4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride (CID 142280895) is 4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride?
The canonical SMILES for 4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride is NC/C=C/CCC1CCN(C(=O)F)CC1.
What is the InChIKey of 4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride?
The InChIKey is TVOABBBGZNOUCS-HNQUOIGGSA-N. The full InChI is InChI=1S/C11H19FN2O/c12-11(15)14-8-5-10(6-9-14)4-2-1-3-7-13/h1,3,10H,2,4-9,13H2/b3-1+.
What are the key properties of 4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride?
4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride has a molecular weight of 214.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride is sourced from PubChem (CID 142280895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).