4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride

C17H20Cl3NO — CID 53410049

IUPAC4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
SMILESCl.Clc1cc(Cl)c2ccccc2c1OCCC1CCNCC1
InChIInChI=1S/C17H19Cl2NO.ClH/c18-15-11-16(19)17(14-4-2-1-3-13(14)15)21-10-7-12-5-8-20-9-6-12;/h1-4,11-12,20H,5-10H2;1H
InChIKeyXUWRTMNJZVIPEW-UHFFFAOYSA-N
MW360.71 g/mol
LogP5.34
Rot. Bonds4

About 4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride

4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride (PubChem CID 53410049) has the molecular formula C17H20Cl3NO and a molecular weight of 360.71 g/mol. Its IUPAC name is 4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
PubChem CID53410049
Molecular FormulaC17H20Cl3NO
Molecular Weight360.71 g/mol
Exact Mass359.06
IUPAC Name4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
SMILESCl.Clc1cc(Cl)c2ccccc2c1OCCC1CCNCC1
InChIInChI=1S/C17H19Cl2NO.ClH/c18-15-11-16(19)17(14-4-2-1-3-13(14)15)21-10-7-12-5-8-20-9-6-12;/h1-4,11-12,20H,5-10H2;1H
InChIKeyXUWRTMNJZVIPEW-UHFFFAOYSA-N
XLogP5.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.71
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
CID 56830392
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine
CID 56830393
4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine
CID 56830089
4-(2-naphthalen-1-yloxyethyl)piperidine;hydrochloride
CID 75539369
3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine
CID 56830677
(3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine
CID 86322028
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine
CID 56830481
4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride
CID 56830247
5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine
CID 71640164
4-[2-(3-iodophenoxy)ethyl]piperidine
CID 105061225
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride?
The IUPAC name of 4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride (CID 53410049) is 4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride is Cl.Clc1cc(Cl)c2ccccc2c1OCCC1CCNCC1.
What is the InChIKey of 4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride?
The InChIKey is XUWRTMNJZVIPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO.ClH/c18-15-11-16(19)17(14-4-2-1-3-13(14)15)21-10-7-12-5-8-20-9-6-12;/h1-4,11-12,20H,5-10H2;1H.
What are the key properties of 4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride?
4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride has a molecular weight of 360.71 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride is sourced from PubChem (CID 53410049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).