1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine

C15H22FIN2 — CID 171173264

IUPAC1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine
SMILESCC(C)(C)[C@H](c1cc(I)ccc1F)N1CCNCC1
InChIInChI=1S/C15H22FIN2/c1-15(2,3)14(19-8-6-18-7-9-19)12-10-11(17)4-5-13(12)16/h4-5,10,14,18H,6-9H2,1-3H3/t14-/m0/s1
InChIKeyQCIZHOZYVKQQJO-AWEZNQCLSA-N
MW376.26 g/mol
LogP3.42
Rot. Bonds2

About 1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine

1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine (PubChem CID 171173264) has the molecular formula C15H22FIN2 and a molecular weight of 376.26 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine
PubChem CID171173264
Molecular FormulaC15H22FIN2
Molecular Weight376.26 g/mol
Exact Mass376.08
IUPAC Name1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine
SMILESCC(C)(C)[C@H](c1cc(I)ccc1F)N1CCNCC1
InChIInChI=1S/C15H22FIN2/c1-15(2,3)14(19-8-6-18-7-9-19)12-10-11(17)4-5-13(12)16/h4-5,10,14,18H,6-9H2,1-3H3/t14-/m0/s1
InChIKeyQCIZHOZYVKQQJO-AWEZNQCLSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]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-[(1S)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171284085
(3S)-3-(2-fluoro-5-iodophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171181489
1-[(1S)-2,2-dimethyl-1-(2,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171280381
1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273226
1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171284070
1-[(1R)-1-(2-fluoro-5-nitrophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171290753
1-[(1S)-4,4,4-trifluoro-1-(2-fluoro-5-iodophenyl)butyl]piperazine;dihydrochloride
CID 171303191
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
1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
CID 171308457
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295389
1-[(1S)-1-(2-fluoro-5-iodophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171284066

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine (CID 171173264) is 1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine is CC(C)(C)[C@H](c1cc(I)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine?
The InChIKey is QCIZHOZYVKQQJO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22FIN2/c1-15(2,3)14(19-8-6-18-7-9-19)12-10-11(17)4-5-13(12)16/h4-5,10,14,18H,6-9H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine?
1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine has a molecular weight of 376.26 g/mol, XLogP of 3.42, 2 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)-2,2-dimethylpropyl]piperazine is sourced from PubChem (CID 171173264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).