2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide

C12H19BrN2O2 — CID 117067034

IUPAC2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide
SMILESBr.OCCOc1ccccc1N1CCNCC1
InChIInChI=1S/C12H18N2O2.BrH/c15-9-10-16-12-4-2-1-3-11(12)14-7-5-13-6-8-14;/h1-4,13,15H,5-10H2;1H
InChIKeyZXVKMSZWJTZHGF-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.05
Rot. Bonds4

About 2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide

2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide (PubChem CID 117067034) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide.

Molecular Properties

Compound Name2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide
PubChem CID117067034
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide
SMILESBr.OCCOc1ccccc1N1CCNCC1
InChIInChI=1S/C12H18N2O2.BrH/c15-9-10-16-12-4-2-1-3-11(12)14-7-5-13-6-8-14;/h1-4,13,15H,5-10H2;1H
InChIKeyZXVKMSZWJTZHGF-UHFFFAOYSA-N
XLogP1.05
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-octoxyphenyl)piperazine
CID 63461603
4-(2-piperazin-1-ylphenoxy)butanenitrile
CID 114284674
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
CID 62700527
1-[2-(3-methylbut-2-enoxy)phenyl]piperazine
CID 114284672
1-[2-(3-ethoxypropoxy)phenyl]-1,4-diazepane
CID 65181009
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-1,4-diazepane
CID 115943307
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine
CID 173335330
1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
CID 67387967
1-(2-phenoxyphenyl)piperazine
CID 12996705
2-(4-piperazin-1-ylphenoxy)ethanol
CID 21363864

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide?
The IUPAC name of 2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide (CID 117067034) is 2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide.
What is the SMILES notation for 2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide?
The canonical SMILES for 2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide is Br.OCCOc1ccccc1N1CCNCC1.
What is the InChIKey of 2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide?
The InChIKey is ZXVKMSZWJTZHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.BrH/c15-9-10-16-12-4-2-1-3-11(12)14-7-5-13-6-8-14;/h1-4,13,15H,5-10H2;1H.
What are the key properties of 2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide?
2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide has a molecular weight of 303.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide is sourced from PubChem (CID 117067034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).