N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide

C11H16BrN3S — CID 111068778

IUPACN'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1cc(Br)cs1)N1CCCCC1
InChIInChI=1S/C11H16BrN3S/c12-9-6-10(16-8-9)7-14-11(13)15-4-2-1-3-5-15/h6,8H,1-5,7H2,(H2,13,14)
InChIKeyUCQYDFHZQKEBCU-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.81
Rot. Bonds2

About N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide

N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide (PubChem CID 111068778) has the molecular formula C11H16BrN3S and a molecular weight of 302.24 g/mol. Its IUPAC name is N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide
PubChem CID111068778
Molecular FormulaC11H16BrN3S
Molecular Weight302.24 g/mol
Exact Mass301.02
IUPAC NameN'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1cc(Br)cs1)N1CCCCC1
InChIInChI=1S/C11H16BrN3S/c12-9-6-10(16-8-9)7-14-11(13)15-4-2-1-3-5-15/h6,8H,1-5,7H2,(H2,13,14)
InChIKeyUCQYDFHZQKEBCU-UHFFFAOYSA-N
XLogP2.81
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111046068
N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
CID 75493910
N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide
CID 122095446
N'-[(4-bromothiophen-2-yl)methyl]benzenecarboximidamide
CID 63362894
N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111031033
N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide
CID 111822147
N'-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111095453
N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111812111
N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038327
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
2-[(4-bromothiophen-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866286

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide (CID 111068778) is N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide is N/C(=N\Cc1cc(Br)cs1)N1CCCCC1.
What is the InChIKey of N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is UCQYDFHZQKEBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3S/c12-9-6-10(16-8-9)7-14-11(13)15-4-2-1-3-5-15/h6,8H,1-5,7H2,(H2,13,14).
What are the key properties of N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide?
N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 302.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111068778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).