N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide

C13H21N3S — CID 111144338

IUPACN',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCc1cccs1)N1CCCC(C)C1
InChIInChI=1S/C13H21N3S/c1-11-5-3-7-16(10-11)13(14-2)15-9-12-6-4-8-17-12/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,14,15)
InChIKeyDMNKOMRAFQOPFV-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.56
Rot. Bonds2

About N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide

N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide (PubChem CID 111144338) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
PubChem CID111144338
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCc1cccs1)N1CCCC(C)C1
InChIInChI=1S/C13H21N3S/c1-11-5-3-7-16(10-11)13(14-2)15-9-12-6-4-8-17-12/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,14,15)
InChIKeyDMNKOMRAFQOPFV-UHFFFAOYSA-N
XLogP2.56
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.56
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

ethyl 1-[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]piperidine-3-carboxylate
CID 110993757
N-[(5-ethylthiophen-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144482
3-(methoxymethyl)-N'-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 111735055
N',3-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111144851
N',3-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111143745
N-[(2-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111738016
N',3-dimethyl-N-[(3-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145047
2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407
N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
N',3-dimethyl-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 111145532
N',3-dimethyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111146048

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide (CID 111144338) is N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide is C/N=C(\NCc1cccs1)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is DMNKOMRAFQOPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-11-5-3-7-16(10-11)13(14-2)15-9-12-6-4-8-17-12/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,14,15).
What are the key properties of N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide?
N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 251.40 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111144338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).