N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide

C15H24IN3O — CID 111032037

IUPACN'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1cccc(OCC/N=C(\N)N2CCCCC2)c1.I
InChIInChI=1S/C15H23N3O.HI/c1-13-6-5-7-14(12-13)19-11-8-17-15(16)18-9-3-2-4-10-18;/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17);1H
InChIKeyUWKMVKLAYCFSJM-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.79
Rot. Bonds4

About N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111032037) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111032037
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC NameN'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1cccc(OCC/N=C(\N)N2CCCCC2)c1.I
InChIInChI=1S/C15H23N3O.HI/c1-13-6-5-7-14(12-13)19-11-8-17-15(16)18-9-3-2-4-10-18;/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17);1H
InChIKeyUWKMVKLAYCFSJM-UHFFFAOYSA-N
XLogP2.79
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.79
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'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111820723
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111089024
N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide
CID 111060823
N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide
CID 111072067
1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62369394
1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 64869053
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
1,1-diethyl-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 75534622
N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111078515
N'-[2-(3-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920552

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111032037) is N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide is Cc1cccc(OCC/N=C(\N)N2CCCCC2)c1.I.
What is the InChIKey of N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is UWKMVKLAYCFSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.HI/c1-13-6-5-7-14(12-13)19-11-8-17-15(16)18-9-3-2-4-10-18;/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17);1H.
What are the key properties of N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 389.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111032037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).