1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine

C20H24INO2 — CID 70449893

IUPAC1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine
SMILESCOc1ccc(OCC2CN(CI)CCC2c2ccccc2)cc1
InChIInChI=1S/C20H24INO2/c1-23-18-7-9-19(10-8-18)24-14-17-13-22(15-21)12-11-20(17)16-5-3-2-4-6-16/h2-10,17,20H,11-15H2,1H3
InChIKeyYULVMIMTZZSPPV-UHFFFAOYSA-N
MW437.32 g/mol
LogP4.57
Rot. Bonds6

About 1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine

1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine (PubChem CID 70449893) has the molecular formula C20H24INO2 and a molecular weight of 437.32 g/mol. Its IUPAC name is 1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine
PubChem CID70449893
Molecular FormulaC20H24INO2
Molecular Weight437.32 g/mol
Exact Mass437.09
IUPAC Name1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine
SMILESCOc1ccc(OCC2CN(CI)CCC2c2ccccc2)cc1
InChIInChI=1S/C20H24INO2/c1-23-18-7-9-19(10-8-18)24-14-17-13-22(15-21)12-11-20(17)16-5-3-2-4-6-16/h2-10,17,20H,11-15H2,1H3
InChIKeyYULVMIMTZZSPPV-UHFFFAOYSA-N
XLogP4.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine?
The IUPAC name of 1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine (CID 70449893) is 1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine.
What is the SMILES notation for 1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine?
The canonical SMILES for 1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine is COc1ccc(OCC2CN(CI)CCC2c2ccccc2)cc1.
What is the InChIKey of 1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine?
The InChIKey is YULVMIMTZZSPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24INO2/c1-23-18-7-9-19(10-8-18)24-14-17-13-22(15-21)12-11-20(17)16-5-3-2-4-6-16/h2-10,17,20H,11-15H2,1H3.
What are the key properties of 1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine?
1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine has a molecular weight of 437.32 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine is sourced from PubChem (CID 70449893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).