2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol

C15H19NOS — CID 116860154

IUPAC2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol
SMILESOCC(c1csc2ccccc12)N1CCCCC1
InChIInChI=1S/C15H19NOS/c17-10-14(16-8-4-1-5-9-16)13-11-18-15-7-3-2-6-12(13)15/h2-3,6-7,11,14,17H,1,4-5,8-10H2
InChIKeyNFJUMNDNFZTKKW-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.42
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol

2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol (PubChem CID 116860154) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol
PubChem CID116860154
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol
SMILESOCC(c1csc2ccccc12)N1CCCCC1
InChIInChI=1S/C15H19NOS/c17-10-14(16-8-4-1-5-9-16)13-11-18-15-7-3-2-6-12(13)15/h2-3,6-7,11,14,17H,1,4-5,8-10H2
InChIKeyNFJUMNDNFZTKKW-UHFFFAOYSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol (CID 116860154) is 2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol is OCC(c1csc2ccccc12)N1CCCCC1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol?
The InChIKey is NFJUMNDNFZTKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c17-10-14(16-8-4-1-5-9-16)13-11-18-15-7-3-2-6-12(13)15/h2-3,6-7,11,14,17H,1,4-5,8-10H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol?
2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol has a molecular weight of 261.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 116860154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).