(E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid

C15H18FNO3 — CID 98022250

IUPAC(E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid
SMILESCOc1ccc(F)cc1/C(=C/C(=O)O)C1CCNCC1
InChIInChI=1S/C15H18FNO3/c1-20-14-3-2-11(16)8-13(14)12(9-15(18)19)10-4-6-17-7-5-10/h2-3,8-10,17H,4-7H2,1H3,(H,18,19)/b12-9+
InChIKeyFCRMCAGKEJLGLQ-FMIVXFBMSA-N
MW279.31 g/mol
LogP2.30
Rot. Bonds4

About (E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid

(E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid (PubChem CID 98022250) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid
PubChem CID98022250
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid
SMILESCOc1ccc(F)cc1/C(=C/C(=O)O)C1CCNCC1
InChIInChI=1S/C15H18FNO3/c1-20-14-3-2-11(16)8-13(14)12(9-15(18)19)10-4-6-17-7-5-10/h2-3,8-10,17H,4-7H2,1H3,(H,18,19)/b12-9+
InChIKeyFCRMCAGKEJLGLQ-FMIVXFBMSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(5-bromo-2-methoxyphenyl)-3-cyclobutylprop-2-enoic acid
CID 82308883
(E)-3-cyclopropyl-3-(2-methoxy-5-propan-2-ylphenyl)prop-2-enoic acid
CID 82049690
1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116583525
(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567687
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(E)-3-(3,4-dimethylphenyl)-3-piperidin-4-ylprop-2-enoic acid
CID 82484136
(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
CID 105125105
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
(E)-3-(3-bromo-4-methoxyphenyl)-3-cyclopropylprop-2-enoic acid
CID 82050072
(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609664
4-[(Z)-1-(4-fluorophenyl)-2-methoxyethenyl]piperidine
CID 54767091
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid?
The IUPAC name of (E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid (CID 98022250) is (E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid is COc1ccc(F)cc1/C(=C/C(=O)O)C1CCNCC1.
What is the InChIKey of (E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid?
The InChIKey is FCRMCAGKEJLGLQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-20-14-3-2-11(16)8-13(14)12(9-15(18)19)10-4-6-17-7-5-10/h2-3,8-10,17H,4-7H2,1H3,(H,18,19)/b12-9+.
What are the key properties of (E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid?
(E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid has a molecular weight of 279.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid is sourced from PubChem (CID 98022250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).