2-[(5-bromothiophen-2-yl)methyl]piperidine

C10H14BrNS — CID 63086364

IUPAC2-[(5-bromothiophen-2-yl)methyl]piperidine
SMILESBrc1ccc(CC2CCCCN2)s1
InChIInChI=1S/C10H14BrNS/c11-10-5-4-9(13-10)7-8-3-1-2-6-12-8/h4-5,8,12H,1-3,6-7H2
InChIKeySJTUTHVXUCHSSE-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.20
Rot. Bonds2

About 2-[(5-bromothiophen-2-yl)methyl]piperidine

2-[(5-bromothiophen-2-yl)methyl]piperidine (PubChem CID 63086364) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]piperidine
PubChem CID63086364
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]piperidine
SMILESBrc1ccc(CC2CCCCN2)s1
InChIInChI=1S/C10H14BrNS/c11-10-5-4-9(13-10)7-8-3-1-2-6-12-8/h4-5,8,12H,1-3,6-7H2
InChIKeySJTUTHVXUCHSSE-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209420
2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine
CID 62335092
N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
CID 115211198
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 116877651
2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine
CID 116840275
1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine
CID 116936244
4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677
(2S)-2-(thiophen-2-ylmethyl)azepane
CID 94481267
2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639985
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605584
4-(5-bromothiophen-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 55084863
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117497267

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]piperidine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]piperidine (CID 63086364) is 2-[(5-bromothiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]piperidine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]piperidine is Brc1ccc(CC2CCCCN2)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]piperidine?
The InChIKey is SJTUTHVXUCHSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c11-10-5-4-9(13-10)7-8-3-1-2-6-12-8/h4-5,8,12H,1-3,6-7H2.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]piperidine?
2-[(5-bromothiophen-2-yl)methyl]piperidine has a molecular weight of 260.20 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 63086364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).