N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide

C19H23FN4O — CID 110920995

IUPACN'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccc(Oc3cccnc3)c(F)c2)CC1
InChIInChI=1S/C19H23FN4O/c1-14-6-9-24(10-7-14)19(21)23-12-15-4-5-18(17(20)11-15)25-16-3-2-8-22-13-16/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3,(H2,21,23)
InChIKeyPLAIXTDBVOSLMO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.56
Rot. Bonds4

About N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide

N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110920995) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110920995
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccc(Oc3cccnc3)c(F)c2)CC1
InChIInChI=1S/C19H23FN4O/c1-14-6-9-24(10-7-14)19(21)23-12-15-4-5-18(17(20)11-15)25-16-3-2-8-22-13-16/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3,(H2,21,23)
InChIKeyPLAIXTDBVOSLMO-UHFFFAOYSA-N
XLogP3.56
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111083185
(4S)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylazepane-1-carboxamide
CID 97023620
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine
CID 111083129
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920412
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111083134
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920413
N-ethyl-N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726536
N'-[(3-bromo-4-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110927914
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111083112
N-ethyl-N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207167
N'-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920623
N'-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920083

Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide (CID 110920995) is N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/Cc2ccc(Oc3cccnc3)c(F)c2)CC1.
What is the InChIKey of N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is PLAIXTDBVOSLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14-6-9-24(10-7-14)19(21)23-12-15-4-5-18(17(20)11-15)25-16-3-2-8-22-13-16/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3,(H2,21,23).
What are the key properties of N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide?
N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 342.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110920995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).