4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine

C19H22INO — CID 10646925

IUPAC4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine
SMILESIc1cccc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C19H22INO/c20-18-8-4-5-16(13-18)14-22-15-19(9-11-21-12-10-19)17-6-2-1-3-7-17/h1-8,13,21H,9-12,14-15H2
InChIKeyRAFDWIXSTUFXQE-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.13
Rot. Bonds5

About 4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine

4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine (PubChem CID 10646925) has the molecular formula C19H22INO and a molecular weight of 407.30 g/mol. Its IUPAC name is 4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine
PubChem CID10646925
Molecular FormulaC19H22INO
Molecular Weight407.30 g/mol
Exact Mass407.07
IUPAC Name4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine
SMILESIc1cccc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C19H22INO/c20-18-8-4-5-16(13-18)14-22-15-19(9-11-21-12-10-19)17-6-2-1-3-7-17/h1-8,13,21H,9-12,14-15H2
InChIKeyRAFDWIXSTUFXQE-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine (CID 10646925) is 4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine is Ic1cccc(COCC2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of 4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine?
The InChIKey is RAFDWIXSTUFXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO/c20-18-8-4-5-16(13-18)14-22-15-19(9-11-21-12-10-19)17-6-2-1-3-7-17/h1-8,13,21H,9-12,14-15H2.
What are the key properties of 4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine?
4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine has a molecular weight of 407.30 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 10646925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).