2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol

C23H25BrN2O3 — CID 132522010

IUPAC2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(CC(O)COc2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C23H25BrN2O3/c24-19-7-5-18-14-21(8-6-17(18)13-19)29-16-20(27)15-25-9-11-26(12-10-25)22-3-1-2-4-23(22)28/h1-8,13-14,20,27-28H,9-12,15-16H2
InChIKeyNZVKPPMPAHGUAP-UHFFFAOYSA-N
MW457.37 g/mol
LogP3.87
Rot. Bonds6

About 2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol

2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol (PubChem CID 132522010) has the molecular formula C23H25BrN2O3 and a molecular weight of 457.37 g/mol. Its IUPAC name is 2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol
PubChem CID132522010
Molecular FormulaC23H25BrN2O3
Molecular Weight457.37 g/mol
Exact Mass456.10
IUPAC Name2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(CC(O)COc2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C23H25BrN2O3/c24-19-7-5-18-14-21(8-6-17(18)13-19)29-16-20(27)15-25-9-11-26(12-10-25)22-3-1-2-4-23(22)28/h1-8,13-14,20,27-28H,9-12,15-16H2
InChIKeyNZVKPPMPAHGUAP-UHFFFAOYSA-N
XLogP3.87
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1289089
1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2949531
2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
CID 27732487
2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 29404375
4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
CID 29404351
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 1050588
1-[4-(2-hydroxy-3-phenanthren-3-yloxypropyl)piperazin-1-yl]-3-phenanthren-3-yloxypropan-2-ol
CID 4027669
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3409821
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol (CID 132522010) is 2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol is Oc1ccccc1N1CCN(CC(O)COc2ccc3cc(Br)ccc3c2)CC1.
What is the InChIKey of 2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol?
The InChIKey is NZVKPPMPAHGUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O3/c24-19-7-5-18-14-21(8-6-17(18)13-19)29-16-20(27)15-25-9-11-26(12-10-25)22-3-1-2-4-23(22)28/h1-8,13-14,20,27-28H,9-12,15-16H2.
What are the key properties of 2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol?
2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol has a molecular weight of 457.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol is sourced from PubChem (CID 132522010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).