5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine

C12H18BrNS — CID 130825934

IUPAC5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine
SMILESCC1CCC(Br)CN1CCc1cccs1
InChIInChI=1S/C12H18BrNS/c1-10-4-5-11(13)9-14(10)7-6-12-3-2-8-15-12/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyFBJOXVSDWJSUMA-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.54
Rot. Bonds3

About 5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine

5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine (PubChem CID 130825934) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine.

Molecular Properties

Compound Name5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine
PubChem CID130825934
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine
SMILESCC1CCC(Br)CN1CCc1cccs1
InChIInChI=1S/C12H18BrNS/c1-10-4-5-11(13)9-14(10)7-6-12-3-2-8-15-12/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyFBJOXVSDWJSUMA-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 130948914
4-bromo-3-methyl-1-(2-thiophen-2-ylethyl)piperidine
CID 114682366
2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64844009
2-cyclopropyl-5-ethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64843303
2,5-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64859740
2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 80690784
2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine
CID 63775037
2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64845507
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758507
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 55216427
2-pyrrolidin-2-yl-1-(2-thiophen-2-ylethyl)piperidine
CID 63775718

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine?
The IUPAC name of 5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine (CID 130825934) is 5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine.
What is the SMILES notation for 5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine?
The canonical SMILES for 5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine is CC1CCC(Br)CN1CCc1cccs1.
What is the InChIKey of 5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine?
The InChIKey is FBJOXVSDWJSUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-10-4-5-11(13)9-14(10)7-6-12-3-2-8-15-12/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of 5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine?
5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine has a molecular weight of 288.25 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine is sourced from PubChem (CID 130825934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).