4-[(2-iodophenoxy)methyl]piperidine;hydrochloride

C12H17ClINO — CID 53409948

IUPAC4-[(2-iodophenoxy)methyl]piperidine;hydrochloride
SMILESCl.Ic1ccccc1OCC1CCNCC1
InChIInChI=1S/C12H16INO.ClH/c13-11-3-1-2-4-12(11)15-9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChIKeyLDUQCBQERFUWKP-UHFFFAOYSA-N
MW353.63 g/mol
LogP3.09
Rot. Bonds3

About 4-[(2-iodophenoxy)methyl]piperidine;hydrochloride

4-[(2-iodophenoxy)methyl]piperidine;hydrochloride (PubChem CID 53409948) has the molecular formula C12H17ClINO and a molecular weight of 353.63 g/mol. Its IUPAC name is 4-[(2-iodophenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(2-iodophenoxy)methyl]piperidine;hydrochloride
PubChem CID53409948
Molecular FormulaC12H17ClINO
Molecular Weight353.63 g/mol
Exact Mass353.00
IUPAC Name4-[(2-iodophenoxy)methyl]piperidine;hydrochloride
SMILESCl.Ic1ccccc1OCC1CCNCC1
InChIInChI=1S/C12H16INO.ClH/c13-11-3-1-2-4-12(11)15-9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChIKeyLDUQCBQERFUWKP-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.63
LogP ≤ 53.09
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

(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine
CID 86321614
1-(cyclopropylmethoxy)-2-iodobenzene
CID 61400120
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 164512463
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile
CID 170886397
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
4-(piperidin-4-ylmethoxy)-1H-benzimidazole
CID 84694709
8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride
CID 46735640
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride
CID 56830778

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodophenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(2-iodophenoxy)methyl]piperidine;hydrochloride (CID 53409948) is 4-[(2-iodophenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(2-iodophenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(2-iodophenoxy)methyl]piperidine;hydrochloride is Cl.Ic1ccccc1OCC1CCNCC1.
What is the InChIKey of 4-[(2-iodophenoxy)methyl]piperidine;hydrochloride?
The InChIKey is LDUQCBQERFUWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO.ClH/c13-11-3-1-2-4-12(11)15-9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H.
What are the key properties of 4-[(2-iodophenoxy)methyl]piperidine;hydrochloride?
4-[(2-iodophenoxy)methyl]piperidine;hydrochloride has a molecular weight of 353.63 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodophenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 53409948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).