1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol

C20H25BrN2O2 — CID 14422879

IUPAC1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol
SMILESOC(CCN1CCN(c2ccccc2)CC1)COc1ccc(Br)cc1
InChIInChI=1S/C20H25BrN2O2/c21-17-6-8-20(9-7-17)25-16-19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9,19,24H,10-16H2
InChIKeyBZVYWCWRIBDYDP-UHFFFAOYSA-N
MW405.34 g/mol
LogP3.40
Rot. Bonds7

About 1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol

1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol (PubChem CID 14422879) has the molecular formula C20H25BrN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol
PubChem CID14422879
Molecular FormulaC20H25BrN2O2
Molecular Weight405.34 g/mol
Exact Mass404.11
IUPAC Name1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol
SMILESOC(CCN1CCN(c2ccccc2)CC1)COc1ccc(Br)cc1
InChIInChI=1S/C20H25BrN2O2/c21-17-6-8-20(9-7-17)25-16-19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9,19,24H,10-16H2
InChIKeyBZVYWCWRIBDYDP-UHFFFAOYSA-N
XLogP3.40
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol
CID 14422864
4-[4-(3-hydroxy-4-phenoxybutyl)piperazin-1-yl]benzonitrile
CID 19840232
1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
CID 14422865
1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2949531
(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-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol
CID 15631758
1-[4-[2-hydroxy-4-(4-methylpiperazin-1-yl)butoxy]phenoxy]-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 3131868
(2S)-1-(4-bromophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 34066082
1-(4-chlorophenoxy)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
CID 14422870
[4-[(3R)-4-[4-[(2S)-4-(4-benzoylpiperazin-1-yl)-2-hydroxybutoxy]phenoxy]-3-hydroxybutyl]piperazin-1-yl]-phenylmethanone
CID 98311938
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol (CID 14422879) is 1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol is OC(CCN1CCN(c2ccccc2)CC1)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol?
The InChIKey is BZVYWCWRIBDYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O2/c21-17-6-8-20(9-7-17)25-16-19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9,19,24H,10-16H2.
What are the key properties of 1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol?
1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol has a molecular weight of 405.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 14422879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).