2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid

C15H18FNO2 — CID 82303203

IUPAC2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid
SMILESO=C(O)C=C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FNO2/c16-14-3-1-12(2-4-14)5-8-17-9-6-13(7-10-17)11-15(18)19/h1-4,11H,5-10H2,(H,18,19)
InChIKeyUSQIVJPFIDZYEE-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.47
Rot. Bonds4

About 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid

2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid (PubChem CID 82303203) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid
PubChem CID82303203
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid
SMILESO=C(O)C=C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FNO2/c16-14-3-1-12(2-4-14)5-8-17-9-6-13(7-10-17)11-15(18)19/h1-4,11H,5-10H2,(H,18,19)
InChIKeyUSQIVJPFIDZYEE-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic 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

N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide
CID 11151370
4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride
CID 141054261
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
2-[1-[2-(dimethylamino)ethyl]piperidin-4-ylidene]acetic acid
CID 82284296
1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
CID 10360079
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
2-[1-(2-benzhydryloxyethyl)piperidin-4-ylidene]acetic acid
CID 67946514
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585
3-(4-fluorophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one
CID 55924108
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110629306

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid (CID 82303203) is 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid is O=C(O)C=C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid?
The InChIKey is USQIVJPFIDZYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-14-3-1-12(2-4-14)5-8-17-9-6-13(7-10-17)11-15(18)19/h1-4,11H,5-10H2,(H,18,19).
What are the key properties of 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid?
2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid has a molecular weight of 263.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid is sourced from PubChem (CID 82303203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).