(E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one

C16H20FNO — CID 59444030

IUPAC(E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one
SMILESO=C(/C=C/c1ccc(F)cc1)CCN1CCCCC1
InChIInChI=1S/C16H20FNO/c17-15-7-4-14(5-8-15)6-9-16(19)10-13-18-11-2-1-3-12-18/h4-9H,1-3,10-13H2/b9-6+
InChIKeyKKZLJOQBPXVJRG-RMKNXTFCSA-N
MW261.34 g/mol
LogP3.28
Rot. Bonds5

About (E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one

(E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one (PubChem CID 59444030) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one
PubChem CID59444030
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name(E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one
SMILESO=C(/C=C/c1ccc(F)cc1)CCN1CCCCC1
InChIInChI=1S/C16H20FNO/c17-15-7-4-14(5-8-15)6-9-16(19)10-13-18-11-2-1-3-12-18/h4-9H,1-3,10-13H2/b9-6+
InChIKeyKKZLJOQBPXVJRG-RMKNXTFCSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
CID 69248140
5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
CID 69246489
(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
CID 6518597
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
(E)-1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one
CID 12842145
(2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate
CID 5007426
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2642079
(E)-3-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600198
ethyl 1-[(E)-5-(4-hydroxyphenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate;hydrochloride
CID 140528482
1-(4-fluorophenyl)-6-nitrohex-1-en-3-one
CID 67802162
5-(4-benzylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pent-1-en-3-one
CID 69247813
ethyl 1-[5-(4-chlorophenyl)-3-oxopent-4-enyl]piperidine-3-carboxylate;hydrochloride
CID 69247827

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one?
The IUPAC name of (E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one (CID 59444030) is (E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one?
The canonical SMILES for (E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one is O=C(/C=C/c1ccc(F)cc1)CCN1CCCCC1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one?
The InChIKey is KKZLJOQBPXVJRG-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H20FNO/c17-15-7-4-14(5-8-15)6-9-16(19)10-13-18-11-2-1-3-12-18/h4-9H,1-3,10-13H2/b9-6+.
What are the key properties of (E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one?
(E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one has a molecular weight of 261.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one is sourced from PubChem (CID 59444030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).