1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine

C19H25ClN2O2 — CID 30088160

IUPAC1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOCCOc2ccc(Cl)c3ccccc23)CC1
InChIInChI=1S/C19H25ClN2O2/c1-21-8-10-22(11-9-21)12-13-23-14-15-24-19-7-6-18(20)16-4-2-3-5-17(16)19/h2-7H,8-15H2,1H3
InChIKeyXYKOPVCQIOMBHF-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.14
Rot. Bonds7

About 1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine

1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine (PubChem CID 30088160) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine
PubChem CID30088160
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOCCOc2ccc(Cl)c3ccccc23)CC1
InChIInChI=1S/C19H25ClN2O2/c1-21-8-10-22(11-9-21)12-13-23-14-15-24-19-7-6-18(20)16-4-2-3-5-17(16)19/h2-7H,8-15H2,1H3
InChIKeyXYKOPVCQIOMBHF-UHFFFAOYSA-N
XLogP3.14
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 30075930
1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270787
1-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 44828232
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]pyrrolidin-1-ium
CID 7241063
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2888787
N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
CID 2935926
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2298053
3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one
CID 171914103

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine (CID 30088160) is 1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine is CN1CCN(CCOCCOc2ccc(Cl)c3ccccc23)CC1.
What is the InChIKey of 1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine?
The InChIKey is XYKOPVCQIOMBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-21-8-10-22(11-9-21)12-13-23-14-15-24-19-7-6-18(20)16-4-2-3-5-17(16)19/h2-7H,8-15H2,1H3.
What are the key properties of 1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine?
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine has a molecular weight of 348.87 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 30088160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).