1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

C23H25BrN2O2 — CID 2949531

IUPAC1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc2cc(Br)ccc2c1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H25BrN2O2/c24-20-8-6-19-15-23(9-7-18(19)14-20)28-17-22(27)16-25-10-12-26(13-11-25)21-4-2-1-3-5-21/h1-9,14-15,22,27H,10-13,16-17H2
InChIKeyYGOFNQBBGPAPKB-UHFFFAOYSA-N
MW441.37 g/mol
LogP4.16
Rot. Bonds6

About 1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 2949531) has the molecular formula C23H25BrN2O2 and a molecular weight of 441.37 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID2949531
Molecular FormulaC23H25BrN2O2
Molecular Weight441.37 g/mol
Exact Mass440.11
IUPAC Name1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc2cc(Br)ccc2c1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H25BrN2O2/c24-20-8-6-19-15-23(9-7-18(19)14-20)28-17-22(27)16-25-10-12-26(13-11-25)21-4-2-1-3-5-21/h1-9,14-15,22,27H,10-13,16-17H2
InChIKeyYGOFNQBBGPAPKB-UHFFFAOYSA-N
XLogP4.16
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 54.16
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
(2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1289089
4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
CID 29404351
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-(3,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882985
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1177221
(2S)-1-(4-bromophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 34066082
4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
CID 31061142

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 2949531) is 1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol is OC(COc1ccc2cc(Br)ccc2c1)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is YGOFNQBBGPAPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O2/c24-20-8-6-19-15-23(9-7-18(19)14-20)28-17-22(27)16-25-10-12-26(13-11-25)21-4-2-1-3-5-21/h1-9,14-15,22,27H,10-13,16-17H2.
What are the key properties of 1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 441.37 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 2949531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).