4-(6-ethyl-1-benzothiophen-3-yl)piperidine

C15H19NS — CID 18797308

IUPAC4-(6-ethyl-1-benzothiophen-3-yl)piperidine
SMILESCCc1ccc2c(C3CCNCC3)csc2c1
InChIInChI=1S/C15H19NS/c1-2-11-3-4-13-14(10-17-15(13)9-11)12-5-7-16-8-6-12/h3-4,9-10,12,16H,2,5-8H2,1H3
InChIKeyPLCJJTMNWUVTRP-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.93
Rot. Bonds2

About 4-(6-ethyl-1-benzothiophen-3-yl)piperidine

4-(6-ethyl-1-benzothiophen-3-yl)piperidine (PubChem CID 18797308) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-(6-ethyl-1-benzothiophen-3-yl)piperidine.

Molecular Properties

Compound Name4-(6-ethyl-1-benzothiophen-3-yl)piperidine
PubChem CID18797308
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name4-(6-ethyl-1-benzothiophen-3-yl)piperidine
SMILESCCc1ccc2c(C3CCNCC3)csc2c1
InChIInChI=1S/C15H19NS/c1-2-11-3-4-13-14(10-17-15(13)9-11)12-5-7-16-8-6-12/h3-4,9-10,12,16H,2,5-8H2,1H3
InChIKeyPLCJJTMNWUVTRP-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-1-benzothiophen-3-yl)piperidine?
The IUPAC name of 4-(6-ethyl-1-benzothiophen-3-yl)piperidine (CID 18797308) is 4-(6-ethyl-1-benzothiophen-3-yl)piperidine.
What is the SMILES notation for 4-(6-ethyl-1-benzothiophen-3-yl)piperidine?
The canonical SMILES for 4-(6-ethyl-1-benzothiophen-3-yl)piperidine is CCc1ccc2c(C3CCNCC3)csc2c1.
What is the InChIKey of 4-(6-ethyl-1-benzothiophen-3-yl)piperidine?
The InChIKey is PLCJJTMNWUVTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-2-11-3-4-13-14(10-17-15(13)9-11)12-5-7-16-8-6-12/h3-4,9-10,12,16H,2,5-8H2,1H3.
What are the key properties of 4-(6-ethyl-1-benzothiophen-3-yl)piperidine?
4-(6-ethyl-1-benzothiophen-3-yl)piperidine has a molecular weight of 245.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-1-benzothiophen-3-yl)piperidine is sourced from PubChem (CID 18797308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).