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

C14H21BrN2O — CID 47520556

IUPAC2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol
SMILESCC(c1ccccc1Br)N1CCN(CCO)CC1
InChIInChI=1S/C14H21BrN2O/c1-12(13-4-2-3-5-14(13)15)17-8-6-16(7-9-17)10-11-18/h2-5,12,18H,6-11H2,1H3
InChIKeyWOPJWLSVITUYKX-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.12
Rot. Bonds4

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

2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol (PubChem CID 47520556) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol
PubChem CID47520556
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol
SMILESCC(c1ccccc1Br)N1CCN(CCO)CC1
InChIInChI=1S/C14H21BrN2O/c1-12(13-4-2-3-5-14(13)15)17-8-6-16(7-9-17)10-11-18/h2-5,12,18H,6-11H2,1H3
InChIKeyWOPJWLSVITUYKX-UHFFFAOYSA-N
XLogP2.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-amino-1-(2-bromophenyl)propyl]-1,4-diazepan-1-yl]ethanol
CID 107214066
2-[4-[1-(2-bromophenyl)ethyl]-1,4-diazepan-1-yl]acetic acid
CID 65061644
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine
CID 55022921
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
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1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 43592199
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599
tert-butyl 4-[1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 169409829
1-[1-(2-bromophenyl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65064952
2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469
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CID 169409815

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol (CID 47520556) is 2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol is CC(c1ccccc1Br)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol?
The InChIKey is WOPJWLSVITUYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-12(13-4-2-3-5-14(13)15)17-8-6-16(7-9-17)10-11-18/h2-5,12,18H,6-11H2,1H3.
What are the key properties of 2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol?
2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol has a molecular weight of 313.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 47520556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).