(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one

C14H16FNO — CID 2162232

IUPAC(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H16FNO/c15-13-7-4-12(5-8-13)6-9-14(17)16-10-2-1-3-11-16/h4-9H,1-3,10-11H2/b9-6-
InChIKeyJEDYXKIAEGBYIE-TWGQIWQCSA-N
MW233.29 g/mol
LogP2.85
Rot. Bonds2

About (Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one

(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 2162232) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
PubChem CID2162232
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H16FNO/c15-13-7-4-12(5-8-13)6-9-14(17)16-10-2-1-3-11-16/h4-9H,1-3,10-11H2/b9-6-
InChIKeyJEDYXKIAEGBYIE-TWGQIWQCSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.85
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-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 74313258
(E)-3-(4-fluorophenyl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415694
4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide
CID 77047625
3-(3-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 73010756
(E)-3-(3-fluoro-4-methylphenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 141141574
(Z)-3-[4-(dimethylamino)phenyl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 97305646
3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 91413237
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
(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
(Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 129407336
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one (CID 2162232) is (Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one is O=C(/C=C\c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is JEDYXKIAEGBYIE-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H16FNO/c15-13-7-4-12(5-8-13)6-9-14(17)16-10-2-1-3-11-16/h4-9H,1-3,10-11H2/b9-6-.
What are the key properties of (Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one?
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 233.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 2162232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).