1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol

C24H30N2O2S — CID 10001622

IUPAC1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2sc3ccc(C)cc3c2C)CC1
InChIInChI=1S/C24H30N2O2S/c1-17-8-9-23-19(16-17)18(2)24(29-23)21(27)10-11-25-12-14-26(15-13-25)20-6-4-5-7-22(20)28-3/h4-9,16,21,27H,10-15H2,1-3H3
InChIKeyDNRNGJJWCMUHHG-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.77
Rot. Bonds6

About 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol

1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol (PubChem CID 10001622) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
PubChem CID10001622
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2sc3ccc(C)cc3c2C)CC1
InChIInChI=1S/C24H30N2O2S/c1-17-8-9-23-19(16-17)18(2)24(29-23)21(27)10-11-25-12-14-26(15-13-25)20-6-4-5-7-22(20)28-3/h4-9,16,21,27H,10-15H2,1-3H3
InChIKeyDNRNGJJWCMUHHG-UHFFFAOYSA-N
XLogP4.77
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Benzo[b]thiophene-3-yl)-3-[4-(2-methoxyphenyl)piperazino]-1-propanol
CID 9886269
1-(5-Fluoro-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 10069586
3-(4-(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)piperazin-1-yl)-1-(5-fluorobenzo[b]thiophen-3-yl)propan-1-ol
CID 10180988
1-(1-Benzothiophen-3-yl)-3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propan-1-ol
CID 10319395
1-(2,5-Dimethylthiophen-3-yl)-3-(4-(2-methoxyphenyl)piperazin-1-yl)propan-1-ol
CID 10570535
2-(4-(3-(Benzo[b]thiophen-3-yl)-3-hydroxypropyl)piperazin-1-yl)phenol
CID 10619048
1-Benzo[b]thiophen-3-yl-3-[4-(4-fluoro-2-methoxy-phenyl)-piperazin-1-yl]-propan-1-ol
CID 10621014
3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-(5-methyl-thiophen-2-yl)-propan-1-ol
CID 10688951
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-(thiophen-3-yl)propan-1-ol
CID 10735345
1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)piperazin-1-yl)propan-1-ol
CID 11091176
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-ol
CID 10496827
1-Benzo[b]thiophen-3-yl-3-[4-(4-chloro-2-methoxy-phenyl)-piperazin-1-yl]-propan-1-ol
CID 10525991

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol (CID 10001622) is 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol is COc1ccccc1N1CCN(CCC(O)c2sc3ccc(C)cc3c2C)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The InChIKey is DNRNGJJWCMUHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-17-8-9-23-19(16-17)18(2)24(29-23)21(27)10-11-25-12-14-26(15-13-25)20-6-4-5-7-22(20)28-3/h4-9,16,21,27H,10-15H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol has a molecular weight of 410.58 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 10001622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).