3-benzyl-4-(3-bromothiophen-2-yl)piperidine

C16H18BrNS — CID 115381528

IUPAC3-benzyl-4-(3-bromothiophen-2-yl)piperidine
SMILESBrc1ccsc1C1CCNCC1Cc1ccccc1
InChIInChI=1S/C16H18BrNS/c17-15-7-9-19-16(15)14-6-8-18-11-13(14)10-12-4-2-1-3-5-12/h1-5,7,9,13-14,18H,6,8,10-11H2
InChIKeyYXWIJURAJGUWQG-UHFFFAOYSA-N
MW336.30 g/mol
LogP4.45
Rot. Bonds3

About 3-benzyl-4-(3-bromothiophen-2-yl)piperidine

3-benzyl-4-(3-bromothiophen-2-yl)piperidine (PubChem CID 115381528) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is 3-benzyl-4-(3-bromothiophen-2-yl)piperidine.

Molecular Properties

Compound Name3-benzyl-4-(3-bromothiophen-2-yl)piperidine
PubChem CID115381528
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC Name3-benzyl-4-(3-bromothiophen-2-yl)piperidine
SMILESBrc1ccsc1C1CCNCC1Cc1ccccc1
InChIInChI=1S/C16H18BrNS/c17-15-7-9-19-16(15)14-6-8-18-11-13(14)10-12-4-2-1-3-5-12/h1-5,7,9,13-14,18H,6,8,10-11H2
InChIKeyYXWIJURAJGUWQG-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromothiophen-2-yl)-3-propylpiperidine
CID 115381531
3-benzyl-4-(4-bromo-5-methylthiophen-2-yl)piperidine
CID 102845451
4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine
CID 115381544
3-benzyl-4-(2,6-difluorophenyl)piperidine
CID 79310572
3-benzyl-4-(2,3-dichlorophenyl)piperidine
CID 79310596
3-benzyl-4-(5-ethylthiophen-2-yl)piperidine
CID 79320981
3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol
CID 114451957
3-benzyl-4-(1-methylpyrazol-4-yl)piperidine
CID 79321270
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
3-(3-bromothiophen-2-yl)piperidine
CID 82664967
3-benzyl-4-cycloheptylpiperidine
CID 79320588
(3R,4S)-3-benzyl-N-phenylpiperidin-4-amine
CID 110129635

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(3-bromothiophen-2-yl)piperidine?
The IUPAC name of 3-benzyl-4-(3-bromothiophen-2-yl)piperidine (CID 115381528) is 3-benzyl-4-(3-bromothiophen-2-yl)piperidine.
What is the SMILES notation for 3-benzyl-4-(3-bromothiophen-2-yl)piperidine?
The canonical SMILES for 3-benzyl-4-(3-bromothiophen-2-yl)piperidine is Brc1ccsc1C1CCNCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-(3-bromothiophen-2-yl)piperidine?
The InChIKey is YXWIJURAJGUWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c17-15-7-9-19-16(15)14-6-8-18-11-13(14)10-12-4-2-1-3-5-12/h1-5,7,9,13-14,18H,6,8,10-11H2.
What are the key properties of 3-benzyl-4-(3-bromothiophen-2-yl)piperidine?
3-benzyl-4-(3-bromothiophen-2-yl)piperidine has a molecular weight of 336.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(3-bromothiophen-2-yl)piperidine is sourced from PubChem (CID 115381528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).