1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine

C16H25ClN2O — CID 82251821

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNCCN1CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-13(2)11-15-12-18-7-8-19(15)9-10-20-16-5-3-14(17)4-6-16/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyRJPORJSLBYCJAE-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.04
Rot. Bonds6

About 1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine

1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine (PubChem CID 82251821) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine
PubChem CID82251821
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNCCN1CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-13(2)11-15-12-18-7-8-19(15)9-10-20-16-5-3-14(17)4-6-16/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyRJPORJSLBYCJAE-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine
CID 82250822
1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine
CID 65441884
1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
CID 80694838
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 64844274
2-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64846847
4-[2-[2-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 82245440
1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 70487598
1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane
CID 82251090
1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
CID 82250820
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine (CID 82251821) is 1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine is CC(C)CC1CNCCN1CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine?
The InChIKey is RJPORJSLBYCJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-13(2)11-15-12-18-7-8-19(15)9-10-20-16-5-3-14(17)4-6-16/h3-6,13,15,18H,7-12H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine?
1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine has a molecular weight of 296.84 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 82251821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).