(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol

C14H21BrN2O2 — CID 95344285

IUPAC(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C[C@H](O)c2cccc(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O2/c15-13-3-1-2-12(10-13)14(19)11-17-6-4-16(5-7-17)8-9-18/h1-3,10,14,18-19H,4-9,11H2/t14-/m0/s1
InChIKeyLSODTQODUQZUHV-AWEZNQCLSA-N
MW329.24 g/mol
LogP1.09
Rot. Bonds5

About (1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol

(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol (PubChem CID 95344285) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
PubChem CID95344285
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C[C@H](O)c2cccc(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O2/c15-13-3-1-2-12(10-13)14(19)11-17-6-4-16(5-7-17)8-9-18/h1-3,10,14,18-19H,4-9,11H2/t14-/m0/s1
InChIKeyLSODTQODUQZUHV-AWEZNQCLSA-N
XLogP1.09
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
1-[4-[2-(3-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 110885594
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 110898476
1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 55099473
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
CID 110885591
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol
CID 111490042
1-(3-bromophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325635
1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 3809523
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol
CID 82214228

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol (CID 95344285) is (1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol is OCCN1CCN(C[C@H](O)c2cccc(Br)c2)CC1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol?
The InChIKey is LSODTQODUQZUHV-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c15-13-3-1-2-12(10-13)14(19)11-17-6-4-16(5-7-17)8-9-18/h1-3,10,14,18-19H,4-9,11H2/t14-/m0/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol?
(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol has a molecular weight of 329.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 95344285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).