4-fluoro-1-iodo-4-phenylpiperidine

C11H13FIN — CID 138702171

IUPAC4-fluoro-1-iodo-4-phenylpiperidine
SMILESFC1(c2ccccc2)CCN(I)CC1
InChIInChI=1S/C11H13FIN/c12-11(6-8-14(13)9-7-11)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyPXWILTJCCBFZAQ-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.30
Rot. Bonds1

About 4-fluoro-1-iodo-4-phenylpiperidine

4-fluoro-1-iodo-4-phenylpiperidine (PubChem CID 138702171) has the molecular formula C11H13FIN and a molecular weight of 305.13 g/mol. Its IUPAC name is 4-fluoro-1-iodo-4-phenylpiperidine.

Molecular Properties

Compound Name4-fluoro-1-iodo-4-phenylpiperidine
PubChem CID138702171
Molecular FormulaC11H13FIN
Molecular Weight305.13 g/mol
Exact Mass305.01
IUPAC Name4-fluoro-1-iodo-4-phenylpiperidine
SMILESFC1(c2ccccc2)CCN(I)CC1
InChIInChI=1S/C11H13FIN/c12-11(6-8-14(13)9-7-11)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyPXWILTJCCBFZAQ-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-iodo-4-phenylpiperidine?
The IUPAC name of 4-fluoro-1-iodo-4-phenylpiperidine (CID 138702171) is 4-fluoro-1-iodo-4-phenylpiperidine.
What is the SMILES notation for 4-fluoro-1-iodo-4-phenylpiperidine?
The canonical SMILES for 4-fluoro-1-iodo-4-phenylpiperidine is FC1(c2ccccc2)CCN(I)CC1.
What is the InChIKey of 4-fluoro-1-iodo-4-phenylpiperidine?
The InChIKey is PXWILTJCCBFZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FIN/c12-11(6-8-14(13)9-7-11)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 4-fluoro-1-iodo-4-phenylpiperidine?
4-fluoro-1-iodo-4-phenylpiperidine has a molecular weight of 305.13 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-iodo-4-phenylpiperidine is sourced from PubChem (CID 138702171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).