(3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid

C22H23F2NO2 — CID 53321158

IUPAC(3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCC=C(c2ccccc2F)c2ccccc2F)C1
InChIInChI=1S/C22H23F2NO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/t16-/m1/s1
InChIKeyDDFDSWOYYJUDPV-MRXNPFEDSA-N
MW371.43 g/mol
LogP4.58
Rot. Bonds6

About (3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid

(3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid (PubChem CID 53321158) has the molecular formula C22H23F2NO2 and a molecular weight of 371.43 g/mol. Its IUPAC name is (3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid
PubChem CID53321158
Molecular FormulaC22H23F2NO2
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name(3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCC=C(c2ccccc2F)c2ccccc2F)C1
InChIInChI=1S/C22H23F2NO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/t16-/m1/s1
InChIKeyDDFDSWOYYJUDPV-MRXNPFEDSA-N
XLogP4.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic 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

Skf 89976
CID 92409
(3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
CID 6604015
1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride
CID 6917797
(R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid
CID 9797818
[1-(4,4-Diphenyl-but-3-enyl)-pyrrolidin-3-yl]-acetic acid
CID 9927708
1-(4,4-Diphenyl-but-3-enyl)-4-hydroxy-piperidine-3-carboxylic acid
CID 10405703
(R)-1-(2-((2,2-Diphenylethenyl)oxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 24842617
(r)-n-(2-(3,3-Diphenyl-1-propyloxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 24842619
1-[2-(3,3-Diphenyl-propoxy)-ethyl]-piperidine-3-carboxylic acid; hydrochloride
CID 24842620
(3R)-1-[2-[2,2-bis(2-methylphenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261563
Z-(R)-1-(2-((2-(2-Methylphenyl)-2-phenylethenyl)oxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 45261615
(3R)-1-[2-[2,2-bis(2,4-difluorophenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261618

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid (CID 53321158) is (3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(CCC=C(c2ccccc2F)c2ccccc2F)C1.
What is the InChIKey of (3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid?
The InChIKey is DDFDSWOYYJUDPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23F2NO2/c23-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)24)10-6-14-25-13-5-7-16(15-25)22(26)27/h1-4,8-12,16H,5-7,13-15H2,(H,26,27)/t16-/m1/s1.
What are the key properties of (3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid?
(3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid has a molecular weight of 371.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4,4-bis(2-fluorophenyl)but-3-enyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 53321158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).