N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide

C15H24N4 — CID 111145936

IUPACN',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCc1cccnc1)N1CCCC(C)C1
InChIInChI=1S/C15H24N4/c1-13-5-4-10-19(12-13)15(16-2)18-9-7-14-6-3-8-17-11-14/h3,6,8,11,13H,4-5,7,9-10,12H2,1-2H3,(H,16,18)
InChIKeyKTPYQWCCTVQSBS-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.93
Rot. Bonds3

About N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide

N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide (PubChem CID 111145936) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
PubChem CID111145936
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCc1cccnc1)N1CCCC(C)C1
InChIInChI=1S/C15H24N4/c1-13-5-4-10-19(12-13)15(16-2)18-9-7-14-6-3-8-17-11-14/h3,6,8,11,13H,4-5,7,9-10,12H2,1-2H3,(H,16,18)
InChIKeyKTPYQWCCTVQSBS-UHFFFAOYSA-N
XLogP1.93
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.93
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',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
CID 111211399
N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111146016
4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111959434
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145905
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-methyl-N-(2-pyridin-3-ylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378113
N-[2-(3,4-diethoxyphenyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143735
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 55823393
4-(3-chlorophenyl)-N'-methyl-N-(2-pyridin-3-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111186842
N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide
CID 111143810

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide (CID 111145936) is N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide is C/N=C(\NCCc1cccnc1)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide?
The InChIKey is KTPYQWCCTVQSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-13-5-4-10-19(12-13)15(16-2)18-9-7-14-6-3-8-17-11-14/h3,6,8,11,13H,4-5,7,9-10,12H2,1-2H3,(H,16,18).
What are the key properties of N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide?
N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide has a molecular weight of 260.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111145936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).