[1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C21H23FN2O — CID 19749698

IUPAC[1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESNc1ccc(/C=C/CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H23FN2O/c22-19-7-5-17(6-8-19)21(25)18-11-14-24(15-12-18)13-1-2-16-3-9-20(23)10-4-16/h1-10,18H,11-15,23H2/b2-1+
InChIKeyBDPFKLLFWSKYGS-OWOJBTEDSA-N
MW338.43 g/mol
LogP4.02
Rot. Bonds5

About [1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 19749698) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is [1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID19749698
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name[1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESNc1ccc(/C=C/CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H23FN2O/c22-19-7-5-17(6-8-19)21(25)18-11-14-24(15-12-18)13-1-2-16-3-9-20(23)10-4-16/h1-10,18H,11-15,23H2/b2-1+
InChIKeyBDPFKLLFWSKYGS-OWOJBTEDSA-N
XLogP4.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 19749698) is [1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone is Nc1ccc(/C=C/CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is BDPFKLLFWSKYGS-OWOJBTEDSA-N. The full InChI is InChI=1S/C21H23FN2O/c22-19-7-5-17(6-8-19)21(25)18-11-14-24(15-12-18)13-1-2-16-3-9-20(23)10-4-16/h1-10,18H,11-15,23H2/b2-1+.
What are the key properties of [1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 338.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-(4-aminophenyl)prop-2-enyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 19749698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).