2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine

C12H17Br2NS — CID 80671588

IUPAC2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine
SMILESBrCCC1CCCCN1Cc1ccc(Br)s1
InChIInChI=1S/C12H17Br2NS/c13-7-6-10-3-1-2-8-15(10)9-11-4-5-12(14)16-11/h4-5,10H,1-3,6-9H2
InChIKeyQKZVIWDALCYMGH-UHFFFAOYSA-N
MW367.15 g/mol
LogP4.65
Rot. Bonds4

About 2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine

2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine (PubChem CID 80671588) has the molecular formula C12H17Br2NS and a molecular weight of 367.15 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine
PubChem CID80671588
Molecular FormulaC12H17Br2NS
Molecular Weight367.15 g/mol
Exact Mass364.94
IUPAC Name2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine
SMILESBrCCC1CCCCN1Cc1ccc(Br)s1
InChIInChI=1S/C12H17Br2NS/c13-7-6-10-3-1-2-8-15(10)9-11-4-5-12(14)16-11/h4-5,10H,1-3,6-9H2
InChIKeyQKZVIWDALCYMGH-UHFFFAOYSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 54.65
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

1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
CID 83062360
1-[1-[(5-bromothiophen-2-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338850
[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 78942538
[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927224
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581813
2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 63386952
2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine
CID 63386907
4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol
CID 80670897
4-[(5-bromothiophen-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 48542146
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
2-(2-bromoethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 80671776
2-(2-bromoethyl)-1-[(2,3-difluorophenyl)methyl]piperidine
CID 80671783

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine?
The IUPAC name of 2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine (CID 80671588) is 2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine?
The canonical SMILES for 2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine is BrCCC1CCCCN1Cc1ccc(Br)s1.
What is the InChIKey of 2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine?
The InChIKey is QKZVIWDALCYMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NS/c13-7-6-10-3-1-2-8-15(10)9-11-4-5-12(14)16-11/h4-5,10H,1-3,6-9H2.
What are the key properties of 2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine?
2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine has a molecular weight of 367.15 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 80671588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).