N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide

C17H24FN3 — CID 111816568

IUPACN'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2(c3ccccc3F)CC2)C1
InChIInChI=1S/C17H24FN3/c1-13-5-4-10-21(11-13)16(19)20-12-17(8-9-17)14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,19,20)
InChIKeyCGGAHORIAIUKPG-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.90
Rot. Bonds3

About N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide

N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111816568) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111816568
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2(c3ccccc3F)CC2)C1
InChIInChI=1S/C17H24FN3/c1-13-5-4-10-21(11-13)16(19)20-12-17(8-9-17)14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,19,20)
InChIKeyCGGAHORIAIUKPG-UHFFFAOYSA-N
XLogP2.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.90
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'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111435820
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine
CID 111816564
3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111970356
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111758049
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide (CID 111816568) is N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC2(c3ccccc3F)CC2)C1.
What is the InChIKey of N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is CGGAHORIAIUKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-13-5-4-10-21(11-13)16(19)20-12-17(8-9-17)14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,19,20).
What are the key properties of N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide?
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 289.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111816568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).