4-ethoxy-1-[(4-iodophenyl)methyl]piperidine

C14H20INO — CID 65478371

IUPAC4-ethoxy-1-[(4-iodophenyl)methyl]piperidine
SMILESCCOC1CCN(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C14H20INO/c1-2-17-14-7-9-16(10-8-14)11-12-3-5-13(15)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyUYQSITKEQJRQHK-UHFFFAOYSA-N
MW345.22 g/mol
LogP3.29
Rot. Bonds4

About 4-ethoxy-1-[(4-iodophenyl)methyl]piperidine

4-ethoxy-1-[(4-iodophenyl)methyl]piperidine (PubChem CID 65478371) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is 4-ethoxy-1-[(4-iodophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-ethoxy-1-[(4-iodophenyl)methyl]piperidine
PubChem CID65478371
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC Name4-ethoxy-1-[(4-iodophenyl)methyl]piperidine
SMILESCCOC1CCN(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C14H20INO/c1-2-17-14-7-9-16(10-8-14)11-12-3-5-13(15)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyUYQSITKEQJRQHK-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65479275
2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 61219359
2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345726
2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 55069209
5-[(4-ethoxypiperidin-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62183322
3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 62892140
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
methyl 4-[(4-ethoxypiperidin-1-yl)methyl]-2-fluorobenzoate
CID 103749261
N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62426943
3-bromo-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80676631
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol
CID 112553476

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-[(4-iodophenyl)methyl]piperidine?
The IUPAC name of 4-ethoxy-1-[(4-iodophenyl)methyl]piperidine (CID 65478371) is 4-ethoxy-1-[(4-iodophenyl)methyl]piperidine.
What is the SMILES notation for 4-ethoxy-1-[(4-iodophenyl)methyl]piperidine?
The canonical SMILES for 4-ethoxy-1-[(4-iodophenyl)methyl]piperidine is CCOC1CCN(Cc2ccc(I)cc2)CC1.
What is the InChIKey of 4-ethoxy-1-[(4-iodophenyl)methyl]piperidine?
The InChIKey is UYQSITKEQJRQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c1-2-17-14-7-9-16(10-8-14)11-12-3-5-13(15)6-4-12/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 4-ethoxy-1-[(4-iodophenyl)methyl]piperidine?
4-ethoxy-1-[(4-iodophenyl)methyl]piperidine has a molecular weight of 345.22 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[(4-iodophenyl)methyl]piperidine is sourced from PubChem (CID 65478371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).