4-fluoro-4-[(4-iodophenyl)methyl]piperidine

C12H15FIN — CID 112563230

IUPAC4-fluoro-4-[(4-iodophenyl)methyl]piperidine
SMILESFC1(Cc2ccc(I)cc2)CCNCC1
InChIInChI=1S/C12H15FIN/c13-12(5-7-15-8-6-12)9-10-1-3-11(14)4-2-10/h1-4,15H,5-9H2
InChIKeyKDHACPJOAFUCCX-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.93
Rot. Bonds2

About 4-fluoro-4-[(4-iodophenyl)methyl]piperidine

4-fluoro-4-[(4-iodophenyl)methyl]piperidine (PubChem CID 112563230) has the molecular formula C12H15FIN and a molecular weight of 319.16 g/mol. Its IUPAC name is 4-fluoro-4-[(4-iodophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[(4-iodophenyl)methyl]piperidine
PubChem CID112563230
Molecular FormulaC12H15FIN
Molecular Weight319.16 g/mol
Exact Mass319.02
IUPAC Name4-fluoro-4-[(4-iodophenyl)methyl]piperidine
SMILESFC1(Cc2ccc(I)cc2)CCNCC1
InChIInChI=1S/C12H15FIN/c13-12(5-7-15-8-6-12)9-10-1-3-11(14)4-2-10/h1-4,15H,5-9H2
InChIKeyKDHACPJOAFUCCX-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-4-fluoropiperidine;ethane
CID 154662481
1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone
CID 105496458
[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine
CID 105461999
3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
CID 83821387
5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine
CID 163385935
4-[(1-fluorocyclopropyl)methyl]aniline
CID 84717040
5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine
CID 163385601
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
1-[(4-iodophenyl)methyl]cyclopropan-1-amine
CID 58506888
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
2-[(4-fluoropiperidin-4-yl)methyl]phenol
CID 105462993
5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole
CID 112645695

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(4-iodophenyl)methyl]piperidine?
The IUPAC name of 4-fluoro-4-[(4-iodophenyl)methyl]piperidine (CID 112563230) is 4-fluoro-4-[(4-iodophenyl)methyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[(4-iodophenyl)methyl]piperidine?
The canonical SMILES for 4-fluoro-4-[(4-iodophenyl)methyl]piperidine is FC1(Cc2ccc(I)cc2)CCNCC1.
What is the InChIKey of 4-fluoro-4-[(4-iodophenyl)methyl]piperidine?
The InChIKey is KDHACPJOAFUCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FIN/c13-12(5-7-15-8-6-12)9-10-1-3-11(14)4-2-10/h1-4,15H,5-9H2.
What are the key properties of 4-fluoro-4-[(4-iodophenyl)methyl]piperidine?
4-fluoro-4-[(4-iodophenyl)methyl]piperidine has a molecular weight of 319.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(4-iodophenyl)methyl]piperidine is sourced from PubChem (CID 112563230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).