2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride

C14H21ClINO — CID 56830523

IUPAC2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
SMILESCl.Ic1ccc(COCCC2CCCCN2)cc1
InChIInChI=1S/C14H20INO.ClH/c15-13-6-4-12(5-7-13)11-17-10-8-14-3-1-2-9-16-14;/h4-7,14,16H,1-3,8-11H2;1H
InChIKeyASNROWVHVGJGRC-UHFFFAOYSA-N
MW381.69 g/mol
LogP3.76
Rot. Bonds5

About 2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride

2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride (PubChem CID 56830523) has the molecular formula C14H21ClINO and a molecular weight of 381.69 g/mol. Its IUPAC name is 2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
PubChem CID56830523
Molecular FormulaC14H21ClINO
Molecular Weight381.69 g/mol
Exact Mass381.04
IUPAC Name2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
SMILESCl.Ic1ccc(COCCC2CCCCN2)cc1
InChIInChI=1S/C14H20INO.ClH/c15-13-6-4-12(5-7-13)11-17-10-8-14-3-1-2-9-16-14;/h4-7,14,16H,1-3,8-11H2;1H
InChIKeyASNROWVHVGJGRC-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.69
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829984
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine
CID 82354069
2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829905
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
(2R)-2-[2-[(2,6-difluorophenyl)methoxy]ethyl]piperidine
CID 86321767
3-methyl-5-(2-piperidin-2-ylethoxymethyl)pyridine
CID 102877250
4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride
CID 142630227
2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
CID 62342977
2-[2-[(2,5-dichlorophenyl)methoxy]ethyl]piperidine
CID 65317213
2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine
CID 97178248
2-[2-(4-phenylbutoxy)ethyl]piperidine
CID 114334035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride (CID 56830523) is 2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride is Cl.Ic1ccc(COCCC2CCCCN2)cc1.
What is the InChIKey of 2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride?
The InChIKey is ASNROWVHVGJGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO.ClH/c15-13-6-4-12(5-7-13)11-17-10-8-14-3-1-2-9-16-14;/h4-7,14,16H,1-3,8-11H2;1H.
What are the key properties of 2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride?
2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride has a molecular weight of 381.69 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56830523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).