4-[2-(3-iodophenoxy)ethyl]piperidine

C13H18INO — CID 105061225

IUPAC4-[2-(3-iodophenoxy)ethyl]piperidine
SMILESIc1cccc(OCCC2CCNCC2)c1
InChIInChI=1S/C13H18INO/c14-12-2-1-3-13(10-12)16-9-6-11-4-7-15-8-5-11/h1-3,10-11,15H,4-9H2
InChIKeyDVZNZKXXMVCWDO-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.06
Rot. Bonds4

About 4-[2-(3-iodophenoxy)ethyl]piperidine

4-[2-(3-iodophenoxy)ethyl]piperidine (PubChem CID 105061225) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-[2-(3-iodophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(3-iodophenoxy)ethyl]piperidine
PubChem CID105061225
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name4-[2-(3-iodophenoxy)ethyl]piperidine
SMILESIc1cccc(OCCC2CCNCC2)c1
InChIInChI=1S/C13H18INO/c14-12-2-1-3-13(10-12)16-9-6-11-4-7-15-8-5-11/h1-3,10-11,15H,4-9H2
InChIKeyDVZNZKXXMVCWDO-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride
CID 56830247
4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine
CID 20751393
methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride
CID 56830226
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine
CID 26192461
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
CID 29077906
(2S)-1-[3-(3-iodophenoxy)propyl]-2-methylpiperazine;dihydrochloride
CID 170453950
(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
CID 86321202
4-(2-naphthalen-1-yloxyethyl)piperidine;hydrochloride
CID 75539369
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-iodophenoxy)ethyl]piperidine?
The IUPAC name of 4-[2-(3-iodophenoxy)ethyl]piperidine (CID 105061225) is 4-[2-(3-iodophenoxy)ethyl]piperidine.
What is the SMILES notation for 4-[2-(3-iodophenoxy)ethyl]piperidine?
The canonical SMILES for 4-[2-(3-iodophenoxy)ethyl]piperidine is Ic1cccc(OCCC2CCNCC2)c1.
What is the InChIKey of 4-[2-(3-iodophenoxy)ethyl]piperidine?
The InChIKey is DVZNZKXXMVCWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c14-12-2-1-3-13(10-12)16-9-6-11-4-7-15-8-5-11/h1-3,10-11,15H,4-9H2.
What are the key properties of 4-[2-(3-iodophenoxy)ethyl]piperidine?
4-[2-(3-iodophenoxy)ethyl]piperidine has a molecular weight of 331.20 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-iodophenoxy)ethyl]piperidine is sourced from PubChem (CID 105061225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).