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

C13H18INO — CID 86321285

IUPAC(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
SMILESIc1ccc(OCC[C@H]2CCCNC2)cc1
InChIInChI=1S/C13H18INO/c14-12-3-5-13(6-4-12)16-9-7-11-2-1-8-15-10-11/h3-6,11,15H,1-2,7-10H2/t11-/m1/s1
InChIKeyCQJLCGDNQSGPTE-LLVKDONJSA-N
MW331.20 g/mol
LogP3.06
Rot. Bonds4

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

(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine (PubChem CID 86321285) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is (3R)-3-[2-(4-iodophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
PubChem CID86321285
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
SMILESIc1ccc(OCC[C@H]2CCCNC2)cc1
InChIInChI=1S/C13H18INO/c14-12-3-5-13(6-4-12)16-9-7-11-2-1-8-15-10-11/h3-6,11,15H,1-2,7-10H2/t11-/m1/s1
InChIKeyCQJLCGDNQSGPTE-LLVKDONJSA-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

3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
3-[2-(4-iodophenoxy)ethyl]azetidine
CID 107391676
(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride
CID 56830400
(3S)-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine
CID 86321569
3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride
CID 56829845
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
CID 86321202

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-iodophenoxy)ethyl]piperidine?
The IUPAC name of (3R)-3-[2-(4-iodophenoxy)ethyl]piperidine (CID 86321285) is (3R)-3-[2-(4-iodophenoxy)ethyl]piperidine.
What is the SMILES notation for (3R)-3-[2-(4-iodophenoxy)ethyl]piperidine?
The canonical SMILES for (3R)-3-[2-(4-iodophenoxy)ethyl]piperidine is Ic1ccc(OCC[C@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-3-[2-(4-iodophenoxy)ethyl]piperidine?
The InChIKey is CQJLCGDNQSGPTE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18INO/c14-12-3-5-13(6-4-12)16-9-7-11-2-1-8-15-10-11/h3-6,11,15H,1-2,7-10H2/t11-/m1/s1.
What are the key properties of (3R)-3-[2-(4-iodophenoxy)ethyl]piperidine?
(3R)-3-[2-(4-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 (3R)-3-[2-(4-iodophenoxy)ethyl]piperidine is sourced from PubChem (CID 86321285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).