N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide

C15H22ClN3O — CID 110920656

IUPACN'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O/c1-12-6-9-19(10-7-12)15(17)18-8-11-20-14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3,(H2,17,18)
InChIKeyQHZDJCIIBVKIAC-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.77
Rot. Bonds4

About N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110920656) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110920656
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O/c1-12-6-9-19(10-7-12)15(17)18-8-11-20-14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3,(H2,17,18)
InChIKeyQHZDJCIIBVKIAC-UHFFFAOYSA-N
XLogP2.77
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.77
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-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111032344
N'-[2-(3-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920552
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111806118
N'-[2-(3-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111071453
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[2-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111071957
4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide
CID 110920535
N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935415
N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111089024

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide (CID 110920656) is N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is QHZDJCIIBVKIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-12-6-9-19(10-7-12)15(17)18-8-11-20-14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3,(H2,17,18).
What are the key properties of N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 295.81 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110920656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).