4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine

C13H15BrN2S — CID 102961165

IUPAC4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine
SMILESCC1CCN(c2nccc3sccc23)CC1Br
InChIInChI=1S/C13H15BrN2S/c1-9-3-6-16(8-11(9)14)13-10-4-7-17-12(10)2-5-15-13/h2,4-5,7,9,11H,3,6,8H2,1H3
InChIKeyMKMBLEIGMQGJNA-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.91
Rot. Bonds1

About 4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine

4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine (PubChem CID 102961165) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine
PubChem CID102961165
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine
SMILESCC1CCN(c2nccc3sccc23)CC1Br
InChIInChI=1S/C13H15BrN2S/c1-9-3-6-16(8-11(9)14)13-10-4-7-17-12(10)2-5-15-13/h2,4-5,7,9,11H,3,6,8H2,1H3
InChIKeyMKMBLEIGMQGJNA-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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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Related Compounds

4-(4-bromo-3-methylpiperidin-1-yl)thieno[3,2-c]pyridine
CID 114682808
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
CID 80669496
5-bromo-1-(3-bromo-4-methylpiperidin-1-yl)isoquinoline
CID 106543296
1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol
CID 106673226
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbaldehyde
CID 55101087
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991
N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588134
4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine
CID 165435561
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62585443
(3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43599525
(4-thieno[3,2-c]pyridin-4-ylmorpholin-2-yl)methanamine
CID 61338182

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine (CID 102961165) is 4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine is CC1CCN(c2nccc3sccc23)CC1Br.
What is the InChIKey of 4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine?
The InChIKey is MKMBLEIGMQGJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9-3-6-16(8-11(9)14)13-10-4-7-17-12(10)2-5-15-13/h2,4-5,7,9,11H,3,6,8H2,1H3.
What are the key properties of 4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine?
4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine has a molecular weight of 311.25 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine is sourced from PubChem (CID 102961165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).