(2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

C23H24BrFN2O2 — CID 1289089

IUPAC(2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@@H](COc1ccc2cc(Br)ccc2c1)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H24BrFN2O2/c24-19-7-5-18-14-21(8-6-17(18)13-19)29-16-20(28)15-26-9-11-27(12-10-26)23-4-2-1-3-22(23)25/h1-8,13-14,20,28H,9-12,15-16H2/t20-/m1/s1
InChIKeyAQVITTJIMMHPSF-HXUWFJFHSA-N
MW459.36 g/mol
LogP4.30
Rot. Bonds6

About (2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

(2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 1289089) has the molecular formula C23H24BrFN2O2 and a molecular weight of 459.36 g/mol. Its IUPAC name is (2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID1289089
Molecular FormulaC23H24BrFN2O2
Molecular Weight459.36 g/mol
Exact Mass458.10
IUPAC Name(2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@@H](COc1ccc2cc(Br)ccc2c1)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H24BrFN2O2/c24-19-7-5-18-14-21(8-6-17(18)13-19)29-16-20(28)15-26-9-11-27(12-10-26)23-4-2-1-3-22(23)25/h1-8,13-14,20,28H,9-12,15-16H2/t20-/m1/s1
InChIKeyAQVITTJIMMHPSF-HXUWFJFHSA-N
XLogP4.30
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol
CID 132522010
1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2949531
6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 67250978
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 2132816
1-(4-chloro-3-methylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770617
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 126476541
1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770611
1-(4-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770619
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol
CID 1039014
1-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 16800906
6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 67250952
(2S)-1-[4-(1-adamantyl)phenoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28640274

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 1289089) is (2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol is O[C@@H](COc1ccc2cc(Br)ccc2c1)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is AQVITTJIMMHPSF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24BrFN2O2/c24-19-7-5-18-14-21(8-6-17(18)13-19)29-16-20(28)15-26-9-11-27(12-10-26)23-4-2-1-3-22(23)25/h1-8,13-14,20,28H,9-12,15-16H2/t20-/m1/s1.
What are the key properties of (2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
(2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 459.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 1289089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).