N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

C12H24IN3O — CID 75482169

IUPACN-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCC1)N1CCC(O)CC1.I
InChIInChI=1S/C12H23N3O.HI/c1-13-12(14-9-10-3-2-4-10)15-7-5-11(16)6-8-15;/h10-11,16H,2-9H2,1H3,(H,13,14);1H
InChIKeyGAZWSTPPMSXZBB-UHFFFAOYSA-N
MW353.25 g/mol
LogP1.44
Rot. Bonds2

About N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 75482169) has the molecular formula C12H24IN3O and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID75482169
Molecular FormulaC12H24IN3O
Molecular Weight353.25 g/mol
Exact Mass353.10
IUPAC NameN-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCC1)N1CCC(O)CC1.I
InChIInChI=1S/C12H23N3O.HI/c1-13-12(14-9-10-3-2-4-10)15-7-5-11(16)6-8-15;/h10-11,16H,2-9H2,1H3,(H,13,14);1H
InChIKeyGAZWSTPPMSXZBB-UHFFFAOYSA-N
XLogP1.44
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119153414
N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110933532
4-(cyclopentylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 119155727
N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744010
N-(cyclooctylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728150
N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154391
N-(cyclopropylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205321
N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide
CID 109454398
N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443212
N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426437
N'-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119114421
N-[(1-acetylpiperidin-4-yl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119156640

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (CID 75482169) is N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCC1CCC1)N1CCC(O)CC1.I.
What is the InChIKey of N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is GAZWSTPPMSXZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.HI/c1-13-12(14-9-10-3-2-4-10)15-7-5-11(16)6-8-15;/h10-11,16H,2-9H2,1H3,(H,13,14);1H.
What are the key properties of N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 353.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 75482169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).