2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol

C15H23BrN2O2 — CID 83979796

IUPAC2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol
SMILESCCCOc1ccc(C(CO)N2CCNCC2)cc1Br
InChIInChI=1S/C15H23BrN2O2/c1-2-9-20-15-4-3-12(10-13(15)16)14(11-19)18-7-5-17-6-8-18/h3-4,10,14,17,19H,2,5-9,11H2,1H3
InChIKeyHIFSSJCXWZQASA-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.18
Rot. Bonds6

About 2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol

2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol (PubChem CID 83979796) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol
PubChem CID83979796
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol
SMILESCCCOc1ccc(C(CO)N2CCNCC2)cc1Br
InChIInChI=1S/C15H23BrN2O2/c1-2-9-20-15-4-3-12(10-13(15)16)14(11-19)18-7-5-17-6-8-18/h3-4,10,14,17,19H,2,5-9,11H2,1H3
InChIKeyHIFSSJCXWZQASA-UHFFFAOYSA-N
XLogP2.18
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol
CID 171183258
(3S)-3-(3-bromo-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189570
1-[(1S)-1-(3-bromo-4-methoxyphenyl)pentyl]piperazine
CID 171309147
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-3-methylbutyl]piperazine
CID 171278085
(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 171182918
2,6-dibromo-4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171182896
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
(3R)-3-(3-bromo-4-methoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306832
[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
CID 171183530

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol (CID 83979796) is 2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol is CCCOc1ccc(C(CO)N2CCNCC2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol?
The InChIKey is HIFSSJCXWZQASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-2-9-20-15-4-3-12(10-13(15)16)14(11-19)18-7-5-17-6-8-18/h3-4,10,14,17,19H,2,5-9,11H2,1H3.
What are the key properties of 2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol?
2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol has a molecular weight of 343.27 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 83979796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).