1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine

C14H16BrNS — CID 117176321

IUPAC1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine
SMILESBrc1ccc2sc(CN3CCCCC3)cc2c1
InChIInChI=1S/C14H16BrNS/c15-12-4-5-14-11(8-12)9-13(17-14)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2
InChIKeyPYQKVRVCNSLIFJ-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.65
Rot. Bonds2

About 1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine

1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine (PubChem CID 117176321) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine
PubChem CID117176321
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine
SMILESBrc1ccc2sc(CN3CCCCC3)cc2c1
InChIInChI=1S/C14H16BrNS/c15-12-4-5-14-11(8-12)9-13(17-14)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2
InChIKeyPYQKVRVCNSLIFJ-UHFFFAOYSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine?
The IUPAC name of 1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine (CID 117176321) is 1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine?
The canonical SMILES for 1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine is Brc1ccc2sc(CN3CCCCC3)cc2c1.
What is the InChIKey of 1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine?
The InChIKey is PYQKVRVCNSLIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c15-12-4-5-14-11(8-12)9-13(17-14)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2.
What are the key properties of 1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine?
1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine has a molecular weight of 310.26 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 117176321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).