1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol

C20H28N2O2S — CID 52952424

IUPAC1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol
SMILESOC(CCN1CCC(N2CCOCC2)CC1)c1csc2ccccc12
InChIInChI=1S/C20H28N2O2S/c23-19(18-15-25-20-4-2-1-3-17(18)20)7-10-21-8-5-16(6-9-21)22-11-13-24-14-12-22/h1-4,15-16,19,23H,5-14H2
InChIKeyAQFQXNDANGFFNG-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.12
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol

1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol (PubChem CID 52952424) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol
PubChem CID52952424
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol
SMILESOC(CCN1CCC(N2CCOCC2)CC1)c1csc2ccccc12
InChIInChI=1S/C20H28N2O2S/c23-19(18-15-25-20-4-2-1-3-17(18)20)7-10-21-8-5-16(6-9-21)22-11-13-24-14-12-22/h1-4,15-16,19,23H,5-14H2
InChIKeyAQFQXNDANGFFNG-UHFFFAOYSA-N
XLogP3.12
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol (CID 52952424) is 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol is OC(CCN1CCC(N2CCOCC2)CC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol?
The InChIKey is AQFQXNDANGFFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c23-19(18-15-25-20-4-2-1-3-17(18)20)7-10-21-8-5-16(6-9-21)22-11-13-24-14-12-22/h1-4,15-16,19,23H,5-14H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol?
1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol has a molecular weight of 360.52 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 52952424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).