N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C15H22F2IN3 — CID 110920788

IUPACN'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCc2cc(F)cc(F)c2)CC1.I
InChIInChI=1S/C15H21F2N3.HI/c1-11-3-6-20(7-4-11)15(18)19-5-2-12-8-13(16)10-14(17)9-12;/h8-11H,2-7H2,1H3,(H2,18,19);1H
InChIKeyOJHTXMIRFSHKJH-UHFFFAOYSA-N
MW409.26 g/mol
LogP3.17
Rot. Bonds3

About N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 110920788) has the molecular formula C15H22F2IN3 and a molecular weight of 409.26 g/mol. Its IUPAC name is N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID110920788
Molecular FormulaC15H22F2IN3
Molecular Weight409.26 g/mol
Exact Mass409.08
IUPAC NameN'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCc2cc(F)cc(F)c2)CC1.I
InChIInChI=1S/C15H21F2N3.HI/c1-11-3-6-20(7-4-11)15(18)19-5-2-12-8-13(16)10-14(17)9-12;/h8-11H,2-7H2,1H3,(H2,18,19);1H
InChIKeyOJHTXMIRFSHKJH-UHFFFAOYSA-N
XLogP3.17
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 53.17
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'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
N'-[2-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935123
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110920809
N'-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920616
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
N'-[2-(3,5-difluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121003
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919904
N'-[2-(4-fluorophenyl)-2-methoxyethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111498006
N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110921015
N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111818646
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919171

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 110920788) is N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CCc2cc(F)cc(F)c2)CC1.I.
What is the InChIKey of N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is OJHTXMIRFSHKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3.HI/c1-11-3-6-20(7-4-11)15(18)19-5-2-12-8-13(16)10-14(17)9-12;/h8-11H,2-7H2,1H3,(H2,18,19);1H.
What are the key properties of N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 409.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110920788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).