N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide

C17H25FIN3 — CID 111091599

IUPACN'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccc(F)cc2)CCC1)N1CCCCC1
InChIInChI=1S/C17H24FN3.HI/c18-15-7-5-14(6-8-15)17(9-4-10-17)13-20-16(19)21-11-2-1-3-12-21;/h5-8H,1-4,9-13H2,(H2,19,20);1H
InChIKeyVAGLAWHCWKZNKA-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.67
Rot. Bonds3

About N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide

N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111091599) has the molecular formula C17H25FIN3 and a molecular weight of 417.31 g/mol. Its IUPAC name is N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111091599
Molecular FormulaC17H25FIN3
Molecular Weight417.31 g/mol
Exact Mass417.11
IUPAC NameN'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccc(F)cc2)CCC1)N1CCCCC1
InChIInChI=1S/C17H24FN3.HI/c18-15-7-5-14(6-8-15)17(9-4-10-17)13-20-16(19)21-11-2-1-3-12-21;/h5-8H,1-4,9-13H2,(H2,19,20);1H
InChIKeyVAGLAWHCWKZNKA-UHFFFAOYSA-N
XLogP3.67
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.67
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 111068160
N'-[[1-(4-bromophenyl)cyclobutyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077358
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111812111
N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117895
1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide
CID 111091583
4-(4-fluorophenyl)-N'-[(1-methylsulfinylcyclobutyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 120672092
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
2-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111091549
N'-[(1-pyridin-2-ylcyclobutyl)methyl]azetidine-1-carboximidamide
CID 122096089
4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide
CID 120762513

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111091599) is N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CC1(c2ccc(F)cc2)CCC1)N1CCCCC1.
What is the InChIKey of N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is VAGLAWHCWKZNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3.HI/c18-15-7-5-14(6-8-15)17(9-4-10-17)13-20-16(19)21-11-2-1-3-12-21;/h5-8H,1-4,9-13H2,(H2,19,20);1H.
What are the key properties of N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 417.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111091599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).