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

C15H19NS — CID 155084554

IUPAC4-(2-benzothiophen-4-yl)-1-ethylpiperidine
SMILESCCN1CCC(c2cccc3cscc23)CC1
InChIInChI=1S/C15H19NS/c1-2-16-8-6-12(7-9-16)14-5-3-4-13-10-17-11-15(13)14/h3-5,10-12H,2,6-9H2,1H3
InChIKeyGAKOHEOVKIQVDU-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.10
Rot. Bonds2

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

4-(2-benzothiophen-4-yl)-1-ethylpiperidine (PubChem CID 155084554) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-(2-benzothiophen-4-yl)-1-ethylpiperidine.

Molecular Properties

Compound Name4-(2-benzothiophen-4-yl)-1-ethylpiperidine
PubChem CID155084554
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name4-(2-benzothiophen-4-yl)-1-ethylpiperidine
SMILESCCN1CCC(c2cccc3cscc23)CC1
InChIInChI=1S/C15H19NS/c1-2-16-8-6-12(7-9-16)14-5-3-4-13-10-17-11-15(13)14/h3-5,10-12H,2,6-9H2,1H3
InChIKeyGAKOHEOVKIQVDU-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzothiophen-4-yl)-1-ethylpiperidine?
The IUPAC name of 4-(2-benzothiophen-4-yl)-1-ethylpiperidine (CID 155084554) is 4-(2-benzothiophen-4-yl)-1-ethylpiperidine.
What is the SMILES notation for 4-(2-benzothiophen-4-yl)-1-ethylpiperidine?
The canonical SMILES for 4-(2-benzothiophen-4-yl)-1-ethylpiperidine is CCN1CCC(c2cccc3cscc23)CC1.
What is the InChIKey of 4-(2-benzothiophen-4-yl)-1-ethylpiperidine?
The InChIKey is GAKOHEOVKIQVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-2-16-8-6-12(7-9-16)14-5-3-4-13-10-17-11-15(13)14/h3-5,10-12H,2,6-9H2,1H3.
What are the key properties of 4-(2-benzothiophen-4-yl)-1-ethylpiperidine?
4-(2-benzothiophen-4-yl)-1-ethylpiperidine has a molecular weight of 245.39 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzothiophen-4-yl)-1-ethylpiperidine is sourced from PubChem (CID 155084554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).