N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide

C17H28IN3O — CID 111975504

IUPACN'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide
SMILESCOc1ccc(CCCC/N=C(\N)N2CCCCC2)cc1.I
InChIInChI=1S/C17H27N3O.HI/c1-21-16-10-8-15(9-11-16)7-3-4-12-19-17(18)20-13-5-2-6-14-20;/h8-11H,2-7,12-14H2,1H3,(H2,18,19);1H
InChIKeyPZKRLOIRDLWRPR-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.44
Rot. Bonds6

About N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide

N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111975504) has the molecular formula C17H28IN3O and a molecular weight of 417.34 g/mol. Its IUPAC name is N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111975504
Molecular FormulaC17H28IN3O
Molecular Weight417.34 g/mol
Exact Mass417.13
IUPAC NameN'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide
SMILESCOc1ccc(CCCC/N=C(\N)N2CCCCC2)cc1.I
InChIInChI=1S/C17H27N3O.HI/c1-21-16-10-8-15(9-11-16)7-3-4-12-19-17(18)20-13-5-2-6-14-20;/h8-11H,2-7,12-14H2,1H3,(H2,18,19);1H
InChIKeyPZKRLOIRDLWRPR-UHFFFAOYSA-N
XLogP3.44
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide;hydroiodide
CID 111067891
N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]piperidine-1-carboximidamide;hydroiodide
CID 111036191
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide
CID 111067892
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide
CID 111060823
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935415
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111098854

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide (CID 111975504) is N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide is COc1ccc(CCCC/N=C(\N)N2CCCCC2)cc1.I.
What is the InChIKey of N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is PZKRLOIRDLWRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.HI/c1-21-16-10-8-15(9-11-16)7-3-4-12-19-17(18)20-13-5-2-6-14-20;/h8-11H,2-7,12-14H2,1H3,(H2,18,19);1H.
What are the key properties of N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide?
N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 417.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111975504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).