3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine

C11H15Br2NS — CID 130757002

IUPAC3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine
SMILESCC1C(Br)CCCN1Cc1cc(Br)cs1
InChIInChI=1S/C11H15Br2NS/c1-8-11(13)3-2-4-14(8)6-10-5-9(12)7-15-10/h5,7-8,11H,2-4,6H2,1H3
InChIKeyOEYAXKXEHJEFGJ-UHFFFAOYSA-N
MW353.12 g/mol
LogP4.26
Rot. Bonds2

About 3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine

3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine (PubChem CID 130757002) has the molecular formula C11H15Br2NS and a molecular weight of 353.12 g/mol. Its IUPAC name is 3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine
PubChem CID130757002
Molecular FormulaC11H15Br2NS
Molecular Weight353.12 g/mol
Exact Mass350.93
IUPAC Name3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine
SMILESCC1C(Br)CCCN1Cc1cc(Br)cs1
InChIInChI=1S/C11H15Br2NS/c1-8-11(13)3-2-4-14(8)6-10-5-9(12)7-15-10/h5,7-8,11H,2-4,6H2,1H3
InChIKeyOEYAXKXEHJEFGJ-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.12
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine
CID 82705689
3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylpyrrolidine
CID 130831781
3-[1-[(4-bromothiophen-2-yl)methyl]piperidin-2-yl]propanoic acid
CID 62215668
2-[(4-bromothiophen-2-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103979624
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63846149
(2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
CID 59332666
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994
[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 30842680
(E)-3-[5-[(2,3-dimethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 62123422
1-[(4-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677218
2-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
CID 131019864
[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol
CID 131115045

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine?
The IUPAC name of 3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine (CID 130757002) is 3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine.
What is the SMILES notation for 3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine?
The canonical SMILES for 3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine is CC1C(Br)CCCN1Cc1cc(Br)cs1.
What is the InChIKey of 3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine?
The InChIKey is OEYAXKXEHJEFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NS/c1-8-11(13)3-2-4-14(8)6-10-5-9(12)7-15-10/h5,7-8,11H,2-4,6H2,1H3.
What are the key properties of 3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine?
3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine has a molecular weight of 353.12 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperidine is sourced from PubChem (CID 130757002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).