N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide

C15H24N4 — CID 111211399

IUPACN',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCc1cccnc1)N1CCC(C)CC1
InChIInChI=1S/C15H24N4/c1-13-6-10-19(11-7-13)15(16-2)18-9-5-14-4-3-8-17-12-14/h3-4,8,12-13H,5-7,9-11H2,1-2H3,(H,16,18)
InChIKeyKTXVWYPNYHDNEK-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.93
Rot. Bonds3

About N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide

N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide (PubChem CID 111211399) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
PubChem CID111211399
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCc1cccnc1)N1CCC(C)CC1
InChIInChI=1S/C15H24N4/c1-13-6-10-19(11-7-13)15(16-2)18-9-5-14-4-3-8-17-12-14/h3-4,8,12-13H,5-7,9-11H2,1-2H3,(H,16,18)
InChIKeyKTXVWYPNYHDNEK-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',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
CID 111145936
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111959434
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
N'-methyl-N-(2-pyridin-3-ylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378113
4-(3-chlorophenyl)-N'-methyl-N-(2-pyridin-3-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111186842
N',4-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111211183
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212040
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211357
N-[2-(5-iodothiophen-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211649
N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212120
1-cyclohexyl-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 110959230

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide (CID 111211399) is N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide is C/N=C(\NCCc1cccnc1)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide?
The InChIKey is KTXVWYPNYHDNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-13-6-10-19(11-7-13)15(16-2)18-9-5-14-4-3-8-17-12-14/h3-4,8,12-13H,5-7,9-11H2,1-2H3,(H,16,18).
What are the key properties of N',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide?
N',4-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',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111211399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).