3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide

C15H25N3S — CID 111813467

IUPAC3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(C)(C)c2cccs2)C1
InChIInChI=1S/C15H25N3S/c1-12-6-4-8-18(10-12)14(16)17-11-15(2,3)13-7-5-9-19-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H2,16,17)
InChIKeyVZDVASXVKXTTBU-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.07
Rot. Bonds3

About 3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide

3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide (PubChem CID 111813467) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide
PubChem CID111813467
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(C)(C)c2cccs2)C1
InChIInChI=1S/C15H25N3S/c1-12-6-4-8-18(10-12)14(16)17-11-15(2,3)13-7-5-9-19-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H2,16,17)
InChIKeyVZDVASXVKXTTBU-UHFFFAOYSA-N
XLogP3.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.07
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-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111823807
1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 78963230
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111060872
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111065039
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308
2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
CID 120661078
N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111027183

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide (CID 111813467) is 3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC(C)(C)c2cccs2)C1.
What is the InChIKey of 3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide?
The InChIKey is VZDVASXVKXTTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-12-6-4-8-18(10-12)14(16)17-11-15(2,3)13-7-5-9-19-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H2,16,17).
What are the key properties of 3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide?
3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide has a molecular weight of 279.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111813467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).