N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide

C16H24FN3O — CID 111820282

IUPACN'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(C)Oc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN3O/c1-12-4-3-9-20(11-12)16(18)19-10-13(2)21-15-7-5-14(17)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,18,19)
InChIKeyRTEPKSVGJNRLSU-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.64
Rot. Bonds4

About N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide

N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111820282) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111820282
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(C)Oc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN3O/c1-12-4-3-9-20(11-12)16(18)19-10-13(2)21-15-7-5-14(17)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,18,19)
InChIKeyRTEPKSVGJNRLSU-UHFFFAOYSA-N
XLogP2.64
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111082627
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111082626
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111056533
4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide
CID 111465531
N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120662236
N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465403
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
(2S)-2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]butan-1-one
CID 28579047
N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
CID 86779414
N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111027183

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide (CID 111820282) is N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC(C)Oc2ccc(F)cc2)C1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is RTEPKSVGJNRLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-12-4-3-9-20(11-12)16(18)19-10-13(2)21-15-7-5-14(17)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,18,19).
What are the key properties of N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide?
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 293.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111820282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).