N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide

C18H24N4 — CID 111144050

IUPACN',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide
SMILESC/N=C(/NCc1cccc2cccnc12)N1CCCC(C)C1
InChIInChI=1S/C18H24N4/c1-14-6-5-11-22(13-14)18(19-2)21-12-16-8-3-7-15-9-4-10-20-17(15)16/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,19,21)
InChIKeyVPUPIFCMVUCZOP-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.04
Rot. Bonds2

About N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide

N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide (PubChem CID 111144050) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide
PubChem CID111144050
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide
SMILESC/N=C(/NCc1cccc2cccnc12)N1CCCC(C)C1
InChIInChI=1S/C18H24N4/c1-14-6-5-11-22(13-14)18(19-2)21-12-16-8-3-7-15-9-4-10-20-17(15)16/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,19,21)
InChIKeyVPUPIFCMVUCZOP-UHFFFAOYSA-N
XLogP3.04
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.04
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-(quinolin-8-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111144049
N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide
CID 111722699
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide
CID 111740512
N-[(2-ethoxy-3-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144415
2-ethyl-N'-methyl-N-(quinolin-8-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109484767
N-[(2-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
ethyl 1-[N'-methyl-N-(quinolin-8-ylmethyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155211
N-[(2-ethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143731
N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144335
N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207468
N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111146039

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide (CID 111144050) is N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide is C/N=C(/NCc1cccc2cccnc12)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is VPUPIFCMVUCZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-6-5-11-22(13-14)18(19-2)21-12-16-8-3-7-15-9-4-10-20-17(15)16/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,19,21).
What are the key properties of N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide?
N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 296.42 g/mol, XLogP of 3.04, 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-(quinolin-8-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111144050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).