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

C15H23N3O — CID 111076365

IUPACN'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide
SMILESCc1ccccc1OCC/N=C(\N)N1CCCCC1
InChIInChI=1S/C15H23N3O/c1-13-7-3-4-8-14(13)19-12-9-17-15(16)18-10-5-2-6-11-18/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,16,17)
InChIKeyUCUQSQUTINYGHT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.17
Rot. Bonds4

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

N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide (PubChem CID 111076365) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide
PubChem CID111076365
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide
SMILESCc1ccccc1OCC/N=C(\N)N1CCCCC1
InChIInChI=1S/C15H23N3O/c1-13-7-3-4-8-14(13)19-12-9-17-15(16)18-10-5-2-6-11-18/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,16,17)
InChIKeyUCUQSQUTINYGHT-UHFFFAOYSA-N
XLogP2.17
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.17
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'}

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Related Compounds

N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111076297
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111032037
N'-[3-(2-methylphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803614
N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111089024
N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111811204
N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084050
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
N'-[(2-prop-2-enoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111810182
N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide
CID 111072067
2-(azepane-1-carbonyl)-4-(2-methylphenoxy)butanenitrile
CID 82136819
N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111821179

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide (CID 111076365) is N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide is Cc1ccccc1OCC/N=C(\N)N1CCCCC1.
What is the InChIKey of N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide?
The InChIKey is UCUQSQUTINYGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13-7-3-4-8-14(13)19-12-9-17-15(16)18-10-5-2-6-11-18/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,16,17).
What are the key properties of N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide?
N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111076365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).