N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide

C14H19BrFN3 — CID 110920809

IUPACN'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H19BrFN3/c1-10-2-4-19(5-3-10)14(17)18-9-11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3,(H2,17,18)
InChIKeyFRYLRXZYYAHYSB-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.13
Rot. Bonds2

About N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide

N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110920809) has the molecular formula C14H19BrFN3 and a molecular weight of 328.23 g/mol. Its IUPAC name is N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110920809
Molecular FormulaC14H19BrFN3
Molecular Weight328.23 g/mol
Exact Mass327.07
IUPAC NameN'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H19BrFN3/c1-10-2-4-19(5-3-10)14(17)18-9-11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3,(H2,17,18)
InChIKeyFRYLRXZYYAHYSB-UHFFFAOYSA-N
XLogP3.13
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.13
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'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110919760
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920413
1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine
CID 171396188
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920412
N'-[(3-bromo-4-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110927914
N'-[(3-bromo-5-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111076982
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 110919839
4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 110919533
N'-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920083
N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide
CID 110919465

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide (CID 110920809) is N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/Cc2cc(F)cc(Br)c2)CC1.
What is the InChIKey of N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is FRYLRXZYYAHYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3/c1-10-2-4-19(5-3-10)14(17)18-9-11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3,(H2,17,18).
What are the key properties of N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide?
N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 328.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110920809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).