1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol

C13H19NOS — CID 10561871

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol
SMILESOC1CCN(C2CCCc3sccc32)CC1
InChIInChI=1S/C13H19NOS/c15-10-4-7-14(8-5-10)12-2-1-3-13-11(12)6-9-16-13/h6,9-10,12,15H,1-5,7-8H2
InChIKeyYSQGLFZFVJVSMS-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.58
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol (PubChem CID 10561871) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol
PubChem CID10561871
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol
SMILESOC1CCN(C2CCCc3sccc32)CC1
InChIInChI=1S/C13H19NOS/c15-10-4-7-14(8-5-10)12-2-1-3-13-11(12)6-9-16-13/h6,9-10,12,15H,1-5,7-8H2
InChIKeyYSQGLFZFVJVSMS-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol (CID 10561871) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol is OC1CCN(C2CCCc3sccc32)CC1.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol?
The InChIKey is YSQGLFZFVJVSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c15-10-4-7-14(8-5-10)12-2-1-3-13-11(12)6-9-16-13/h6,9-10,12,15H,1-5,7-8H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol?
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol has a molecular weight of 237.37 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-ol is sourced from PubChem (CID 10561871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).