N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide

C15H21F2N3O — CID 111806118

IUPACN'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCOc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H21F2N3O/c1-11-3-2-7-20(10-11)15(18)19-6-8-21-12-4-5-13(16)14(17)9-12/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,18,19)
InChIKeyDXQVMEYPYCOETJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.39
Rot. Bonds4

About N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide

N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111806118) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111806118
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC NameN'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCOc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H21F2N3O/c1-11-3-2-7-20(10-11)15(18)19-6-8-21-12-4-5-13(16)14(17)9-12/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,18,19)
InChIKeyDXQVMEYPYCOETJ-UHFFFAOYSA-N
XLogP2.39
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.39
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]-3-methylpiperidine-1-carboximidamide
CID 111071453
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920656
1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine
CID 111806172
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
N'-[2-(3-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920552
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111082627
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111082626
N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120580585
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide (CID 111806118) is N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCOc2ccc(F)c(F)c2)C1.
What is the InChIKey of N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is DXQVMEYPYCOETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-11-3-2-7-20(10-11)15(18)19-6-8-21-12-4-5-13(16)14(17)9-12/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,18,19).
What are the key properties of N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide?
N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 297.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111806118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).