1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol

C23H32N2O3 — CID 173271836

IUPAC1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol
SMILESCOc1ccccc1OCCC(O)CN1CCN(c2c(C)cccc2C)CC1
InChIInChI=1S/C23H32N2O3/c1-18-7-6-8-19(2)23(18)25-14-12-24(13-15-25)17-20(26)11-16-28-22-10-5-4-9-21(22)27-3/h4-10,20,26H,11-17H2,1-3H3
InChIKeyIPVDEPWYLSRVDI-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.26
Rot. Bonds8

About 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol

1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol (PubChem CID 173271836) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol
PubChem CID173271836
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol
SMILESCOc1ccccc1OCCC(O)CN1CCN(c2c(C)cccc2C)CC1
InChIInChI=1S/C23H32N2O3/c1-18-7-6-8-19(2)23(18)25-14-12-24(13-15-25)17-20(26)11-16-28-22-10-5-4-9-21(22)27-3/h4-10,20,26H,11-17H2,1-3H3
InChIKeyIPVDEPWYLSRVDI-UHFFFAOYSA-N
XLogP3.26
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethylphenoxy)-3-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 54598123
1-[4-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 3154143
1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 3482388
1-(2,6-dimethylphenyl)-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 58160655
1-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-2-one
CID 70170185
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
(2S)-1-(2-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 95390818
1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851
1-[2,6-bis(trideuteriomethyl)phenyl]-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one;1-(2,6-dimethylphenyl)-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 123533473
1-[2,6-bis(trideuteriomethyl)phenyl]-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 58326088

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol?
The IUPAC name of 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol (CID 173271836) is 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol.
What is the SMILES notation for 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol?
The canonical SMILES for 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol is COc1ccccc1OCCC(O)CN1CCN(c2c(C)cccc2C)CC1.
What is the InChIKey of 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol?
The InChIKey is IPVDEPWYLSRVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-18-7-6-8-19(2)23(18)25-14-12-24(13-15-25)17-20(26)11-16-28-22-10-5-4-9-21(22)27-3/h4-10,20,26H,11-17H2,1-3H3.
What are the key properties of 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol?
1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol has a molecular weight of 384.52 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol is sourced from PubChem (CID 173271836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).