4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine

C11H16BrNS — CID 117258210

IUPAC4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine
SMILESCC1(C)CC(c2ccc(Br)s2)CCN1
InChIInChI=1S/C11H16BrNS/c1-11(2)7-8(5-6-13-11)9-3-4-10(12)14-9/h3-4,8,13H,5-7H2,1-2H3
InChIKeyAPFLTQCGWAWDOW-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.76
Rot. Bonds1

About 4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine

4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine (PubChem CID 117258210) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine
PubChem CID117258210
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine
SMILESCC1(C)CC(c2ccc(Br)s2)CCN1
InChIInChI=1S/C11H16BrNS/c1-11(2)7-8(5-6-13-11)9-3-4-10(12)14-9/h3-4,8,13H,5-7H2,1-2H3
InChIKeyAPFLTQCGWAWDOW-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine
CID 117269751
4-(3-bromophenyl)-2,2-dimethylpiperidine
CID 117258218
2-(2,2-dimethylpiperidin-4-yl)pyridine
CID 117258212
2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117228171
6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine
CID 65102206
2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane
CID 117226749
(2R)-2-(5-bromothiophen-2-yl)piperidine
CID 7048175
3-(5-bromothiophen-2-yl)cyclohexan-1-amine
CID 83551915
4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid
CID 66867881
(4R)-4-(5-bromothiophen-2-yl)oxan-2-one
CID 25108116
N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine
CID 115145458
3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 130488378

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine (CID 117258210) is 4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine is CC1(C)CC(c2ccc(Br)s2)CCN1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine?
The InChIKey is APFLTQCGWAWDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-11(2)7-8(5-6-13-11)9-3-4-10(12)14-9/h3-4,8,13H,5-7H2,1-2H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine?
4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine has a molecular weight of 274.23 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine is sourced from PubChem (CID 117258210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).