N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C17H24F2IN3 — CID 120671744

IUPACN'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/C2CC(c3cc(F)cc(F)c3)C2)C1.I
InChIInChI=1S/C17H23F2N3.HI/c1-11-3-2-4-22(10-11)17(20)21-16-7-13(8-16)12-5-14(18)9-15(19)6-12;/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3,(H2,20,21);1H
InChIKeyGIMQLPDFBNSQTL-UHFFFAOYSA-N
MW435.30 g/mol
LogP3.88
Rot. Bonds2

About N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 120671744) has the molecular formula C17H24F2IN3 and a molecular weight of 435.30 g/mol. Its IUPAC name is N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID120671744
Molecular FormulaC17H24F2IN3
Molecular Weight435.30 g/mol
Exact Mass435.10
IUPAC NameN'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/C2CC(c3cc(F)cc(F)c3)C2)C1.I
InChIInChI=1S/C17H23F2N3.HI/c1-11-3-2-4-22(10-11)17(20)21-16-7-13(8-16)12-5-14(18)9-15(19)6-12;/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3,(H2,20,21);1H
InChIKeyGIMQLPDFBNSQTL-UHFFFAOYSA-N
XLogP3.88
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 53.88
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'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide
CID 120671753
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569
3-methyl-N'-(2-methylcyclobutyl)piperidine-1-carboximidamide
CID 120974001
N'-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111045773
N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide
CID 78321574
N'-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboximidamide
CID 122097958
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120762832
N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride
CID 142722417
3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide
CID 120666131
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111062038
(3R)-N-(3,5-difluorophenyl)-3-methylpiperidine-1-carbothioamide
CID 27460717
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120762820

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 120671744) is N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/C2CC(c3cc(F)cc(F)c3)C2)C1.I.
What is the InChIKey of N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is GIMQLPDFBNSQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3.HI/c1-11-3-2-4-22(10-11)17(20)21-16-7-13(8-16)12-5-14(18)9-15(19)6-12;/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3,(H2,20,21);1H.
What are the key properties of N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 435.30 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 120671744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).