2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol

C13H19BrN2O — CID 768218

IUPAC2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H19BrN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2
InChIKeyZEYMJAPCVCOFKR-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol

2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 768218) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol
PubChem CID768218
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H19BrN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2
InChIKeyZEYMJAPCVCOFKR-UHFFFAOYSA-N
XLogP1.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol (CID 768218) is 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is ZEYMJAPCVCOFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2.
What are the key properties of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 299.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 768218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).