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

C16H24FN3O2 — CID 111082627

IUPACN'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(O)COc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN3O2/c1-12-3-2-8-20(10-12)16(18)19-9-14(21)11-22-15-6-4-13(17)5-7-15/h4-7,12,14,21H,2-3,8-11H2,1H3,(H2,18,19)
InChIKeyHXCKOWFHYQJAOH-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.61
Rot. Bonds5

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

N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111082627) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111082627
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC NameN'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(O)COc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN3O2/c1-12-3-2-8-20(10-12)16(18)19-9-14(21)11-22-15-6-4-13(17)5-7-15/h4-7,12,14,21H,2-3,8-11H2,1H3,(H2,18,19)
InChIKeyHXCKOWFHYQJAOH-UHFFFAOYSA-N
XLogP1.61
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
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-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111082626
N'-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111082304
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282
N'-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111082489
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111056533
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111032344
1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine
CID 111082633
N'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111806118
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide
CID 111097323

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide (CID 111082627) is N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC(O)COc2ccc(F)cc2)C1.
What is the InChIKey of N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is HXCKOWFHYQJAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-12-3-2-8-20(10-12)16(18)19-9-14(21)11-22-15-6-4-13(17)5-7-15/h4-7,12,14,21H,2-3,8-11H2,1H3,(H2,18,19).
What are the key properties of N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide?
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 309.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111082627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).