(2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol

C20H24BrClN2O2 — CID 34207169

IUPAC(2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESO[C@H](COc1ccccc1Br)CN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24BrClN2O2/c21-19-3-1-2-4-20(19)26-15-18(25)14-24-11-9-23(10-12-24)13-16-5-7-17(22)8-6-16/h1-8,18,25H,9-15H2/t18-/m0/s1
InChIKeyLRYSLGRFHAALGU-SFHVURJKSA-N
MW439.78 g/mol
LogP3.66
Rot. Bonds7

About (2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol

(2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 34207169) has the molecular formula C20H24BrClN2O2 and a molecular weight of 439.78 g/mol. Its IUPAC name is (2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID34207169
Molecular FormulaC20H24BrClN2O2
Molecular Weight439.78 g/mol
Exact Mass438.07
IUPAC Name(2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESO[C@H](COc1ccccc1Br)CN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24BrClN2O2/c21-19-3-1-2-4-20(19)26-15-18(25)14-24-11-9-23(10-12-24)13-16-5-7-17(22)8-6-16/h1-8,18,25H,9-15H2/t18-/m0/s1
InChIKeyLRYSLGRFHAALGU-SFHVURJKSA-N
XLogP3.66
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 3747865
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2914509
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 1351068
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 30629645
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
(2S)-1-(2-bromophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066317
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 4729498

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol (CID 34207169) is (2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol is O[C@H](COc1ccccc1Br)CN1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is LRYSLGRFHAALGU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24BrClN2O2/c21-19-3-1-2-4-20(19)26-15-18(25)14-24-11-9-23(10-12-24)13-16-5-7-17(22)8-6-16/h1-8,18,25H,9-15H2/t18-/m0/s1.
What are the key properties of (2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol?
(2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 439.78 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 34207169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).