4-(1-benzothiophen-2-yl)piperidine

C13H15NS — CID 22028239

IUPAC4-(1-benzothiophen-2-yl)piperidine
SMILESc1ccc2sc(C3CCNCC3)cc2c1
InChIInChI=1S/C13H15NS/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-4,9-10,14H,5-8H2
InChIKeyKXPOMJGPFGAYEC-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.37
Rot. Bonds1

About 4-(1-benzothiophen-2-yl)piperidine

4-(1-benzothiophen-2-yl)piperidine (PubChem CID 22028239) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)piperidine.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)piperidine
PubChem CID22028239
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name4-(1-benzothiophen-2-yl)piperidine
SMILESc1ccc2sc(C3CCNCC3)cc2c1
InChIInChI=1S/C13H15NS/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-4,9-10,14H,5-8H2
InChIKeyKXPOMJGPFGAYEC-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)piperidine?
The IUPAC name of 4-(1-benzothiophen-2-yl)piperidine (CID 22028239) is 4-(1-benzothiophen-2-yl)piperidine.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)piperidine?
The canonical SMILES for 4-(1-benzothiophen-2-yl)piperidine is c1ccc2sc(C3CCNCC3)cc2c1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)piperidine?
The InChIKey is KXPOMJGPFGAYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-4,9-10,14H,5-8H2.
What are the key properties of 4-(1-benzothiophen-2-yl)piperidine?
4-(1-benzothiophen-2-yl)piperidine has a molecular weight of 217.34 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)piperidine is sourced from PubChem (CID 22028239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).