(3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine

C11H14FIN2 — CID 89108176

IUPAC(3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine
SMILESFc1ccc(CN2CCN[C@H](I)C2)cc1
InChIInChI=1S/C11H14FIN2/c12-10-3-1-9(2-4-10)7-15-6-5-14-11(13)8-15/h1-4,11,14H,5-8H2/t11-/m0/s1
InChIKeyZMWSWUZBBQGYAP-NSHDSACASA-N
MW320.15 g/mol
LogP1.99
Rot. Bonds2

About (3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine

(3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine (PubChem CID 89108176) has the molecular formula C11H14FIN2 and a molecular weight of 320.15 g/mol. Its IUPAC name is (3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine.

Molecular Properties

Compound Name(3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine
PubChem CID89108176
Molecular FormulaC11H14FIN2
Molecular Weight320.15 g/mol
Exact Mass320.02
IUPAC Name(3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine
SMILESFc1ccc(CN2CCN[C@H](I)C2)cc1
InChIInChI=1S/C11H14FIN2/c12-10-3-1-9(2-4-10)7-15-6-5-14-11(13)8-15/h1-4,11,14H,5-8H2/t11-/m0/s1
InChIKeyZMWSWUZBBQGYAP-NSHDSACASA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine?
The IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine (CID 89108176) is (3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine.
What is the SMILES notation for (3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine?
The canonical SMILES for (3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine is Fc1ccc(CN2CCN[C@H](I)C2)cc1.
What is the InChIKey of (3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine?
The InChIKey is ZMWSWUZBBQGYAP-NSHDSACASA-N. The full InChI is InChI=1S/C11H14FIN2/c12-10-3-1-9(2-4-10)7-15-6-5-14-11(13)8-15/h1-4,11,14H,5-8H2/t11-/m0/s1.
What are the key properties of (3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine?
(3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine has a molecular weight of 320.15 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine is sourced from PubChem (CID 89108176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).