1-(1-benzothiophen-3-ylmethyl)piperidine

C14H17NS — CID 832487

IUPAC1-(1-benzothiophen-3-ylmethyl)piperidine
SMILESc1ccc2c(CN3CCCCC3)csc2c1
InChIInChI=1S/C14H17NS/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyJKRKLHWYSPAZAT-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.89
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)piperidine

1-(1-benzothiophen-3-ylmethyl)piperidine (PubChem CID 832487) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)piperidine
PubChem CID832487
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-(1-benzothiophen-3-ylmethyl)piperidine
SMILESc1ccc2c(CN3CCCCC3)csc2c1
InChIInChI=1S/C14H17NS/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyJKRKLHWYSPAZAT-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)piperidine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)piperidine (CID 832487) is 1-(1-benzothiophen-3-ylmethyl)piperidine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)piperidine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)piperidine is c1ccc2c(CN3CCCCC3)csc2c1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)piperidine?
The InChIKey is JKRKLHWYSPAZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14/h2-3,6-7,11H,1,4-5,8-10H2.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)piperidine?
1-(1-benzothiophen-3-ylmethyl)piperidine has a molecular weight of 231.36 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)piperidine is sourced from PubChem (CID 832487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).