3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol

C23H28N2O2S — CID 44602870

IUPAC3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol
SMILESCOc1ccc2c(C(O)CCN3CCN(Cc4ccccc4)CC3)csc2c1
InChIInChI=1S/C23H28N2O2S/c1-27-19-7-8-20-21(17-28-23(20)15-19)22(26)9-10-24-11-13-25(14-12-24)16-18-5-3-2-4-6-18/h2-8,15,17,22,26H,9-14,16H2,1H3
InChIKeyXQHWQBPXSJLKFA-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.15
Rot. Bonds7

About 3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol

3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol (PubChem CID 44602870) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol
PubChem CID44602870
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol
SMILESCOc1ccc2c(C(O)CCN3CCN(Cc4ccccc4)CC3)csc2c1
InChIInChI=1S/C23H28N2O2S/c1-27-19-7-8-20-21(17-28-23(20)15-19)22(26)9-10-24-11-13-25(14-12-24)16-18-5-3-2-4-6-18/h2-8,15,17,22,26H,9-14,16H2,1H3
InChIKeyXQHWQBPXSJLKFA-UHFFFAOYSA-N
XLogP4.15
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol with MolForge

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Related Compounds

1-(5-chloro-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;dihydrochloride
CID 21183860
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
2-(4-benzylpiperazin-1-yl)-6-methoxy-1,3-benzothiazole
CID 90601897
1-benzyl-4-[(3R)-3-(3-chlorophenyl)-3-(4-methoxyphenoxy)propyl]piperazine
CID 92998656
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
methyl 6-[4-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]-1H-indole-2-carboxylate
CID 151416469
(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone
CID 71701392
1-[2-[2-(1-benzothiophen-3-yl)ethoxy]ethyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 139810824

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol (CID 44602870) is 3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol is COc1ccc2c(C(O)CCN3CCN(Cc4ccccc4)CC3)csc2c1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol?
The InChIKey is XQHWQBPXSJLKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-27-19-7-8-20-21(17-28-23(20)15-19)22(26)9-10-24-11-13-25(14-12-24)16-18-5-3-2-4-6-18/h2-8,15,17,22,26H,9-14,16H2,1H3.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol?
3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol has a molecular weight of 396.56 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-(6-methoxy-1-benzothiophen-3-yl)propan-1-ol is sourced from PubChem (CID 44602870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).