3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine

C11H15BrClNS — CID 80679761

IUPAC3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
SMILESClc1ccc(CN2CCCC(CBr)C2)s1
InChIInChI=1S/C11H15BrClNS/c12-6-9-2-1-5-14(7-9)8-10-3-4-11(13)15-10/h3-4,9H,1-2,5-8H2
InChIKeyGCLRPIFLLBSOKK-UHFFFAOYSA-N
MW308.67 g/mol
LogP4.01
Rot. Bonds3

About 3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine

3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine (PubChem CID 80679761) has the molecular formula C11H15BrClNS and a molecular weight of 308.67 g/mol. Its IUPAC name is 3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
PubChem CID80679761
Molecular FormulaC11H15BrClNS
Molecular Weight308.67 g/mol
Exact Mass306.98
IUPAC Name3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
SMILESClc1ccc(CN2CCCC(CBr)C2)s1
InChIInChI=1S/C11H15BrClNS/c12-6-9-2-1-5-14(7-9)8-10-3-4-11(13)15-10/h3-4,9H,1-2,5-8H2
InChIKeyGCLRPIFLLBSOKK-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 54.01
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

N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 62581145
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354
2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine
CID 81213537
1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63844771
[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol
CID 51080740
ethyl (3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 81339175
3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42288549
3-(bromomethyl)-1-[(2-bromophenyl)methyl]piperidine
CID 80679308
1-(2-chloroethyl)-4-[(5-chlorothiophen-2-yl)methyl]-1,4-diazepane
CID 63388084
2-[[3-(bromomethyl)piperidin-1-yl]methyl]-1,3-benzothiazole
CID 104632056
N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 172881651
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220494

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine?
The IUPAC name of 3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine (CID 80679761) is 3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine?
The canonical SMILES for 3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine is Clc1ccc(CN2CCCC(CBr)C2)s1.
What is the InChIKey of 3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine?
The InChIKey is GCLRPIFLLBSOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNS/c12-6-9-2-1-5-14(7-9)8-10-3-4-11(13)15-10/h3-4,9H,1-2,5-8H2.
What are the key properties of 3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine?
3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine has a molecular weight of 308.67 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 80679761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).