4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine

C19H20ClFINO — CID 11705252

IUPAC4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccc(Cl)c(I)c1
InChIInChI=1S/C19H20ClFINO/c1-12-8-14(21)3-4-15(12)16-10-23-7-6-19(16)24-11-13-2-5-17(20)18(22)9-13/h2-5,8-9,16,19,23H,6-7,10-11H2,1H3
InChIKeyVWQPBKHGHMTPQE-UHFFFAOYSA-N
MW459.73 g/mol
LogP5.05
Rot. Bonds4

About 4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine

4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (PubChem CID 11705252) has the molecular formula C19H20ClFINO and a molecular weight of 459.73 g/mol. Its IUPAC name is 4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
PubChem CID11705252
Molecular FormulaC19H20ClFINO
Molecular Weight459.73 g/mol
Exact Mass459.03
IUPAC Name4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccc(Cl)c(I)c1
InChIInChI=1S/C19H20ClFINO/c1-12-8-14(21)3-4-15(12)16-10-23-7-6-19(16)24-11-13-2-5-17(20)18(22)9-13/h2-5,8-9,16,19,23H,6-7,10-11H2,1H3
InChIKeyVWQPBKHGHMTPQE-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.73
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The IUPAC name of 4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (CID 11705252) is 4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.
What is the SMILES notation for 4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The canonical SMILES for 4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is Cc1cc(F)ccc1C1CNCCC1OCc1ccc(Cl)c(I)c1.
What is the InChIKey of 4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The InChIKey is VWQPBKHGHMTPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFINO/c1-12-8-14(21)3-4-15(12)16-10-23-7-6-19(16)24-11-13-2-5-17(20)18(22)9-13/h2-5,8-9,16,19,23H,6-7,10-11H2,1H3.
What are the key properties of 4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine has a molecular weight of 459.73 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-iodophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is sourced from PubChem (CID 11705252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).