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

C16H21NS — CID 71463197

IUPAC4-(1-benzothiophen-2-yl)-1-propylpiperidine
SMILESCCCN1CCC(c2cc3ccccc3s2)CC1
InChIInChI=1S/C16H21NS/c1-2-9-17-10-7-13(8-11-17)16-12-14-5-3-4-6-15(14)18-16/h3-6,12-13H,2,7-11H2,1H3
InChIKeyZSFVXIXYHJMAHE-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.49
Rot. Bonds3

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

4-(1-benzothiophen-2-yl)-1-propylpiperidine (PubChem CID 71463197) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-1-propylpiperidine
PubChem CID71463197
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name4-(1-benzothiophen-2-yl)-1-propylpiperidine
SMILESCCCN1CCC(c2cc3ccccc3s2)CC1
InChIInChI=1S/C16H21NS/c1-2-9-17-10-7-13(8-11-17)16-12-14-5-3-4-6-15(14)18-16/h3-6,12-13H,2,7-11H2,1H3
InChIKeyZSFVXIXYHJMAHE-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-1-propylpiperidine?
The IUPAC name of 4-(1-benzothiophen-2-yl)-1-propylpiperidine (CID 71463197) is 4-(1-benzothiophen-2-yl)-1-propylpiperidine.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-1-propylpiperidine?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-1-propylpiperidine is CCCN1CCC(c2cc3ccccc3s2)CC1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-1-propylpiperidine?
The InChIKey is ZSFVXIXYHJMAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-9-17-10-7-13(8-11-17)16-12-14-5-3-4-6-15(14)18-16/h3-6,12-13H,2,7-11H2,1H3.
What are the key properties of 4-(1-benzothiophen-2-yl)-1-propylpiperidine?
4-(1-benzothiophen-2-yl)-1-propylpiperidine has a molecular weight of 259.42 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-1-propylpiperidine is sourced from PubChem (CID 71463197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).