(E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one

C15H18FNO — CID 18723464

IUPAC(E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one
SMILESC/C=C/C(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FNO/c1-2-3-15(18)17-10-8-13(9-11-17)12-4-6-14(16)7-5-12/h2-7,13H,8-11H2,1H3/b3-2+
InChIKeyGGBOPYQACIRBRO-NSCUHMNNSA-N
MW247.31 g/mol
LogP3.11
Rot. Bonds2

About (E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one

(E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one (PubChem CID 18723464) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is (E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one
PubChem CID18723464
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name(E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one
SMILESC/C=C/C(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FNO/c1-2-3-15(18)17-10-8-13(9-11-17)12-4-6-14(16)7-5-12/h2-7,13H,8-11H2,1H3/b3-2+
InChIKeyGGBOPYQACIRBRO-NSCUHMNNSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
(E)-1-[(3R)-3-(2,3-dichloro-6-fluorophenyl)pyrrolidin-1-yl]but-2-en-1-one
CID 176997121
(E)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-3-(1-hydroxypyridin-1-ium-4-yl)but-2-en-1-one
CID 143583526
(E)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]but-2-en-1-one
CID 110470223
1-[4-[1-[4-(4-fluorophenyl)piperidin-1-yl]-2-hydroxyethyl]piperidin-1-yl]-3-(3,4,5-trifluorophenyl)prop-2-en-1-one
CID 76839726
1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
CID 24698061
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
(4-chloro-5-methyl-6-sulfanylidene-1H-pyridin-3-yl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412250
3-[4-chloro-2-[(5-methyltetrazol-2-yl)methyl]phenyl]-1-[4-(4-fluorophenyl)piperidin-1-yl]prop-2-en-1-one
CID 123608927
1-(4-methoxypiperidin-1-yl)but-2-en-1-one
CID 112723226
1-but-2-enoylpiperidine-4-carboxamide
CID 78907164

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one?
The IUPAC name of (E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one (CID 18723464) is (E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one?
The canonical SMILES for (E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one is C/C=C/C(=O)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of (E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one?
The InChIKey is GGBOPYQACIRBRO-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H18FNO/c1-2-3-15(18)17-10-8-13(9-11-17)12-4-6-14(16)7-5-12/h2-7,13H,8-11H2,1H3/b3-2+.
What are the key properties of (E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one?
(E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one has a molecular weight of 247.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one is sourced from PubChem (CID 18723464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).