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

C15H22FN3 — CID 110919526

IUPACN'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3/c1-12-7-10-19(11-8-12)15(17)18-9-6-13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3,(H2,17,18)
InChIKeyIHLMUWCCEWPSBD-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.41
Rot. Bonds3

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

N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110919526) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110919526
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3/c1-12-7-10-19(11-8-12)15(17)18-9-6-13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3,(H2,17,18)
InChIKeyIHLMUWCCEWPSBD-UHFFFAOYSA-N
XLogP2.41
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919904
N'-[2-(4-fluorophenyl)-2-methoxyethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111498006
N'-[2-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935123
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920341
N'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110921015
N'-[2-[4-(dimethylamino)phenyl]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111089178
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 110919320

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide (CID 110919526) is N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCc2ccc(F)cc2)CC1.
What is the InChIKey of N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is IHLMUWCCEWPSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-12-7-10-19(11-8-12)15(17)18-9-6-13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3,(H2,17,18).
What are the key properties of N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 263.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110919526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).