1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine

C14H18FIN2 — CID 171173178

IUPAC1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine
SMILESC=CC[C@H](c1cc(I)ccc1F)N1CCNCC1
InChIInChI=1S/C14H18FIN2/c1-2-3-14(18-8-6-17-7-9-18)12-10-11(16)4-5-13(12)15/h2,4-5,10,14,17H,1,3,6-9H2/t14-/m1/s1
InChIKeyUDNRXTXLVIICOK-CQSZACIVSA-N
MW360.21 g/mol
LogP2.95
Rot. Bonds4

About 1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine

1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine (PubChem CID 171173178) has the molecular formula C14H18FIN2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine
PubChem CID171173178
Molecular FormulaC14H18FIN2
Molecular Weight360.21 g/mol
Exact Mass360.05
IUPAC Name1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine
SMILESC=CC[C@H](c1cc(I)ccc1F)N1CCNCC1
InChIInChI=1S/C14H18FIN2/c1-2-3-14(18-8-6-17-7-9-18)12-10-11(16)4-5-13(12)15/h2,4-5,10,14,17H,1,3,6-9H2/t14-/m1/s1
InChIKeyUDNRXTXLVIICOK-CQSZACIVSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine 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

1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171296691
1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171284070
1-[(1S)-1-(5-bromo-2-fluorophenyl)but-3-enyl]piperazine;hydrochloride
CID 171163292
1-[(1R)-2-cyclopropyl-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171296703
1-[(1S)-4,4,4-trifluoro-1-(2-fluoro-5-iodophenyl)butyl]piperazine;dihydrochloride
CID 171303191
1-[(1S)-1-(2-fluoro-5-iodophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171284066
1-[(1S)-1-(2,4-difluorophenyl)but-3-enyl]piperazine
CID 171163003
1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine
CID 171167786
1-[(1S)-3,3,3-trifluoro-1-(2-fluoro-5-iodophenyl)propyl]piperazine;hydrochloride
CID 171167843
2,3-difluoro-6-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171300046
1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
CID 171308457
1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine
CID 171275471

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine (CID 171173178) is 1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine is C=CC[C@H](c1cc(I)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine?
The InChIKey is UDNRXTXLVIICOK-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18FIN2/c1-2-3-14(18-8-6-17-7-9-18)12-10-11(16)4-5-13(12)15/h2,4-5,10,14,17H,1,3,6-9H2/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine?
1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine has a molecular weight of 360.21 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine is sourced from PubChem (CID 171173178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).