N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide

C18H26Cl2IN3O — CID 111081407

IUPACN'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccc(Cl)cc2Cl)CCOCC1)N1CCCCC1
InChIInChI=1S/C18H25Cl2N3O.HI/c19-14-4-5-15(16(20)12-14)18(6-10-24-11-7-18)13-22-17(21)23-8-2-1-3-9-23;/h4-5,12H,1-3,6-11,13H2,(H2,21,22);1H
InChIKeyAZTYVTRVOGRBQU-UHFFFAOYSA-N
MW498.24 g/mol
LogP4.46
Rot. Bonds3

About N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide

N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111081407) has the molecular formula C18H26Cl2IN3O and a molecular weight of 498.24 g/mol. Its IUPAC name is N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111081407
Molecular FormulaC18H26Cl2IN3O
Molecular Weight498.24 g/mol
Exact Mass497.05
IUPAC NameN'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccc(Cl)cc2Cl)CCOCC1)N1CCCCC1
InChIInChI=1S/C18H25Cl2N3O.HI/c19-14-4-5-15(16(20)12-14)18(6-10-24-11-7-18)13-22-17(21)23-8-2-1-3-9-23;/h4-5,12H,1-3,6-11,13H2,(H2,21,22);1H
InChIKeyAZTYVTRVOGRBQU-UHFFFAOYSA-N
XLogP4.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.24
LogP ≤ 54.46
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111805279
1-(cyclobutylmethyl)-2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111081399
4-acetyl-N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-N-ethylpiperazine-1-carboximidamide
CID 110962475
4-(4-chlorophenyl)-N'-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111068031
tert-butyl 4-[N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111805246
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 71886523
2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111081389
2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-1-ethyl-3-prop-2-ynylguanidine
CID 111850052
2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111188305
2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111081390
N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111809281
1-(cyclopropylmethyl)-2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-ethylguanidine;hydroiodide
CID 111870736

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111081407) is N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CC1(c2ccc(Cl)cc2Cl)CCOCC1)N1CCCCC1.
What is the InChIKey of N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is AZTYVTRVOGRBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O.HI/c19-14-4-5-15(16(20)12-14)18(6-10-24-11-7-18)13-22-17(21)23-8-2-1-3-9-23;/h4-5,12H,1-3,6-11,13H2,(H2,21,22);1H.
What are the key properties of N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 498.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111081407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).