1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine

C12H16FIN2 — CID 131345100

IUPAC1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine
SMILESFC[C@@H](c1ccccc1I)N1CCNCC1
InChIInChI=1S/C12H16FIN2/c13-9-12(16-7-5-15-6-8-16)10-3-1-2-4-11(10)14/h1-4,12,15H,5-9H2/t12-/m0/s1
InChIKeyWZIPXSQSZZGIFE-LBPRGKRZSA-N
MW334.18 g/mol
LogP2.21
Rot. Bonds3

About 1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine

1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine (PubChem CID 131345100) has the molecular formula C12H16FIN2 and a molecular weight of 334.18 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine
PubChem CID131345100
Molecular FormulaC12H16FIN2
Molecular Weight334.18 g/mol
Exact Mass334.03
IUPAC Name1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine
SMILESFC[C@@H](c1ccccc1I)N1CCNCC1
InChIInChI=1S/C12H16FIN2/c13-9-12(16-7-5-15-6-8-16)10-3-1-2-4-11(10)14/h1-4,12,15H,5-9H2/t12-/m0/s1
InChIKeyWZIPXSQSZZGIFE-LBPRGKRZSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine
CID 171172200
1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine
CID 171177405
1-[(1S)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine;hydrochloride
CID 171180808
1-[(1S)-1-(2-iodophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171280664
1-[(1S)-1-(2-iodophenyl)butyl]piperazine
CID 171280679
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182257
1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182135
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171284070

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine (CID 131345100) is 1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine is FC[C@@H](c1ccccc1I)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine?
The InChIKey is WZIPXSQSZZGIFE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FIN2/c13-9-12(16-7-5-15-6-8-16)10-3-1-2-4-11(10)14/h1-4,12,15H,5-9H2/t12-/m0/s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine?
1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine has a molecular weight of 334.18 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine is sourced from PubChem (CID 131345100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).