N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide

C13H20BrN3S — CID 110921015

IUPACN'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCc2ccc(Br)s2)CC1
InChIInChI=1S/C13H20BrN3S/c1-10-5-8-17(9-6-10)13(15)16-7-4-11-2-3-12(14)18-11/h2-3,10H,4-9H2,1H3,(H2,15,16)
InChIKeyYJCNXGWEKHDOBK-UHFFFAOYSA-N
MW330.30 g/mol
LogP3.10
Rot. Bonds3

About N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110921015) has the molecular formula C13H20BrN3S and a molecular weight of 330.30 g/mol. Its IUPAC name is N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110921015
Molecular FormulaC13H20BrN3S
Molecular Weight330.30 g/mol
Exact Mass329.06
IUPAC NameN'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCc2ccc(Br)s2)CC1
InChIInChI=1S/C13H20BrN3S/c1-10-5-8-17(9-6-10)13(15)16-7-4-11-2-3-12(14)18-11/h2-3,10H,4-9H2,1H3,(H2,15,16)
InChIKeyYJCNXGWEKHDOBK-UHFFFAOYSA-N
XLogP3.10
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.10
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'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 111109775
N'-[2-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935123
2-[(5-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 78793185
N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110927708
N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919550
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342
4-methyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110930254
N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919750

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide (CID 110921015) is N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCc2ccc(Br)s2)CC1.
What is the InChIKey of N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is YJCNXGWEKHDOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3S/c1-10-5-8-17(9-6-10)13(15)16-7-4-11-2-3-12(14)18-11/h2-3,10H,4-9H2,1H3,(H2,15,16).
What are the key properties of N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 330.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110921015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).