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

C18H27ClIN3O — CID 111805279

IUPACN'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2Cl)CCOCC1)N1CCCCC1
InChIInChI=1S/C18H26ClN3O.HI/c19-16-7-3-2-6-15(16)18(8-12-23-13-9-18)14-21-17(20)22-10-4-1-5-11-22;/h2-3,6-7H,1,4-5,8-14H2,(H2,20,21);1H
InChIKeyNAAFDFGFIJIEJN-UHFFFAOYSA-N
MW463.79 g/mol
LogP3.81
Rot. Bonds3

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

N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111805279) has the molecular formula C18H27ClIN3O and a molecular weight of 463.79 g/mol. Its IUPAC name is N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111805279
Molecular FormulaC18H27ClIN3O
Molecular Weight463.79 g/mol
Exact Mass463.09
IUPAC NameN'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2Cl)CCOCC1)N1CCCCC1
InChIInChI=1S/C18H26ClN3O.HI/c19-16-7-3-2-6-15(16)18(8-12-23-13-9-18)14-21-17(20)22-10-4-1-5-11-22;/h2-3,6-7H,1,4-5,8-14H2,(H2,20,21);1H
InChIKeyNAAFDFGFIJIEJN-UHFFFAOYSA-N
XLogP3.81
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.79
LogP ≤ 53.81
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-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111081407
tert-butyl 4-[N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111805246
2-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 111464779
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111078968
4-(4-chlorophenyl)-N'-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111068031
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
2-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111805275
N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111809281
2-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111837287
2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine
CID 82084431
N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide
CID 111818118

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111805279) is N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CC1(c2ccccc2Cl)CCOCC1)N1CCCCC1.
What is the InChIKey of N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is NAAFDFGFIJIEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O.HI/c19-16-7-3-2-6-15(16)18(8-12-23-13-9-18)14-21-17(20)22-10-4-1-5-11-22;/h2-3,6-7H,1,4-5,8-14H2,(H2,20,21);1H.
What are the key properties of N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 463.79 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111805279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).