N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

C14H25IN4O2 — CID 119157988

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1c(C)noc1C)N1CCC(O)CC1.I
InChIInChI=1S/C14H24N4O2.HI/c1-10-13(11(2)20-17-10)4-7-16-14(15-3)18-8-5-12(19)6-9-18;/h12,19H,4-9H2,1-3H3,(H,15,16);1H
InChIKeyHLNQJYRHGDXKLE-UHFFFAOYSA-N
MW408.28 g/mol
LogP1.48
Rot. Bonds3

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 119157988) has the molecular formula C14H25IN4O2 and a molecular weight of 408.28 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID119157988
Molecular FormulaC14H25IN4O2
Molecular Weight408.28 g/mol
Exact Mass408.10
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1c(C)noc1C)N1CCC(O)CC1.I
InChIInChI=1S/C14H24N4O2.HI/c1-10-13(11(2)20-17-10)4-7-16-14(15-3)18-8-5-12(19)6-9-18;/h12,19H,4-9H2,1-3H3,(H,15,16);1H
InChIKeyHLNQJYRHGDXKLE-UHFFFAOYSA-N
XLogP1.48
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 119157757
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486963
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489722
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119159109
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114629
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111763506
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111764588
4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide
CID 109414401
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111768172
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111765644
1-[3-(azepan-1-yl)propyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylguanidine
CID 111765785
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylguanidine
CID 119158751

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (CID 119157988) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCc1c(C)noc1C)N1CCC(O)CC1.I.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is HLNQJYRHGDXKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.HI/c1-10-13(11(2)20-17-10)4-7-16-14(15-3)18-8-5-12(19)6-9-18;/h12,19H,4-9H2,1-3H3,(H,15,16);1H.
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 408.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119157988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).