4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide

C16H30N4 — CID 120655351

IUPAC4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/C2CC(N3CCCCC3)C2)CC1
InChIInChI=1S/C16H30N4/c1-13-5-9-20(10-6-13)16(17)18-14-11-15(12-14)19-7-3-2-4-8-19/h13-15H,2-12H2,1H3,(H2,17,18)
InChIKeyXMNVBIZUOKONQM-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.05
Rot. Bonds2

About 4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide

4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide (PubChem CID 120655351) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide
PubChem CID120655351
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/C2CC(N3CCCCC3)C2)CC1
InChIInChI=1S/C16H30N4/c1-13-5-9-20(10-6-13)16(17)18-14-11-15(12-14)19-7-3-2-4-8-19/h13-15H,2-12H2,1H3,(H2,17,18)
InChIKeyXMNVBIZUOKONQM-UHFFFAOYSA-N
XLogP2.05
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.05
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'-cyclohexyl-4-cyclopentylpiperazine-1-carboximidamide
CID 62369969
N'-hydroxy-4-piperidin-1-ylpiperidine-1-carboximidamide
CID 76944257
N'-cyclopentyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 79934866
N',4-dicyclopropylpiperazine-1-carboximidamide
CID 62363225
4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide
CID 120513564
1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)guanidine
CID 78989940
4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide
CID 62363188
tert-butyl 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]azetidine-1-carboxylate
CID 111911150
(4-hydroxypiperidin-1-yl)-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone
CID 177011015
N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide
CID 120514505
1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide (CID 120655351) is 4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide is CC1CCN(/C(N)=N/C2CC(N3CCCCC3)C2)CC1.
What is the InChIKey of 4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide?
The InChIKey is XMNVBIZUOKONQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-13-5-9-20(10-6-13)16(17)18-14-11-15(12-14)19-7-3-2-4-8-19/h13-15H,2-12H2,1H3,(H2,17,18).
What are the key properties of 4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide?
4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide has a molecular weight of 278.44 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(3-piperidin-1-ylcyclobutyl)piperidine-1-carboximidamide is sourced from PubChem (CID 120655351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).