4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine

C13H15BrN2S — CID 80669496

IUPAC4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
SMILESBrCC1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C13H15BrN2S/c14-9-10-2-6-16(7-3-10)13-11-4-8-17-12(11)1-5-15-13/h1,4-5,8,10H,2-3,6-7,9H2
InChIKeyWHGXRXHDOWVYLV-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.91
Rot. Bonds2

About 4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine

4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine (PubChem CID 80669496) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
PubChem CID80669496
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
SMILESBrCC1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C13H15BrN2S/c14-9-10-2-6-16(7-3-10)13-11-4-8-17-12(11)1-5-15-13/h1,4-5,8,10H,2-3,6-7,9H2
InChIKeyWHGXRXHDOWVYLV-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine?
The IUPAC name of 4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine (CID 80669496) is 4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine is BrCC1CCN(c2nccc3sccc23)CC1.
What is the InChIKey of 4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine?
The InChIKey is WHGXRXHDOWVYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c14-9-10-2-6-16(7-3-10)13-11-4-8-17-12(11)1-5-15-13/h1,4-5,8,10H,2-3,6-7,9H2.
What are the key properties of 4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine?
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine has a molecular weight of 311.25 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 80669496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).