2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol

C14H20INO2 — CID 10428643

IUPAC2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(COc2ccc(I)cc2)CC1
InChIInChI=1S/C14H20INO2/c15-13-1-3-14(4-2-13)18-11-12-5-7-16(8-6-12)9-10-17/h1-4,12,17H,5-11H2
InChIKeyXHNKRIKJZZBVIE-UHFFFAOYSA-N
MW361.22 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol

2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol (PubChem CID 10428643) has the molecular formula C14H20INO2 and a molecular weight of 361.22 g/mol. Its IUPAC name is 2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol
PubChem CID10428643
Molecular FormulaC14H20INO2
Molecular Weight361.22 g/mol
Exact Mass361.05
IUPAC Name2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(COc2ccc(I)cc2)CC1
InChIInChI=1S/C14H20INO2/c15-13-1-3-14(4-2-13)18-11-12-5-7-16(8-6-12)9-10-17/h1-4,12,17H,5-11H2
InChIKeyXHNKRIKJZZBVIE-UHFFFAOYSA-N
XLogP2.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Phenoxybutyl)piperidine
CID 2057411
1-(2-Fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine
CID 10808677
1-Cyclopropylmethyl-4-(4-iodo-phenoxymethyl)-piperidine
CID 44290508
1-[2-(4-Methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride
CID 166634459
1-[4-(2-Methoxyphenoxy)butyl]-4-methylpiperidine
CID 1825305
1-Cyclopropylmethyl-4-(4-fluoro-phenoxymethyl)-piperidine
CID 10015631
4-[4-(4-Fluorophenoxy)butyl]morpholine;hydrochloride
CID 16188313
1-Phenoxy-3-(piperidin-1-yl)propan-2-ol
CID 259475
Piperidine, 1-(2-phenoxyethyl)-
CID 120169
4-(3-Phenoxypropyl)morpholine
CID 2057437
1-[3-(4-Methoxyphenoxy)propyl]-3-methylpiperidine
CID 2923449
1-(4-Fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4565713

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol (CID 10428643) is 2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol is OCCN1CCC(COc2ccc(I)cc2)CC1.
What is the InChIKey of 2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol?
The InChIKey is XHNKRIKJZZBVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO2/c15-13-1-3-14(4-2-13)18-11-12-5-7-16(8-6-12)9-10-17/h1-4,12,17H,5-11H2.
What are the key properties of 2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol?
2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol has a molecular weight of 361.22 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-iodophenoxy)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 10428643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).