N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide

C14H19BrFN3 — CID 110919760

IUPACN'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H19BrFN3/c1-10-4-6-19(7-5-10)14(17)18-9-11-8-12(15)2-3-13(11)16/h2-3,8,10H,4-7,9H2,1H3,(H2,17,18)
InChIKeyCRRBWQYZEYDJTB-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.13
Rot. Bonds2

About N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide

N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110919760) has the molecular formula C14H19BrFN3 and a molecular weight of 328.23 g/mol. Its IUPAC name is N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110919760
Molecular FormulaC14H19BrFN3
Molecular Weight328.23 g/mol
Exact Mass327.07
IUPAC NameN'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H19BrFN3/c1-10-4-6-19(7-5-10)14(17)18-9-11-8-12(15)2-3-13(11)16/h2-3,8,10H,4-7,9H2,1H3,(H2,17,18)
InChIKeyCRRBWQYZEYDJTB-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]pyrrolidine-1-carboximidamide
CID 75493910
N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110920809
N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920840
N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide
CID 122097017
N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide
CID 122095446
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110919433
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920413
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920412
1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine
CID 64866451
N'-[(2,5-difluorophenyl)methyl]thiomorpholine-4-carboximidamide
CID 111801004
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968
2-[(5-bromo-2-fluorophenyl)methyl]-1-tert-butylguanidine
CID 55064147

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide (CID 110919760) is N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/Cc2cc(Br)ccc2F)CC1.
What is the InChIKey of N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is CRRBWQYZEYDJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3/c1-10-4-6-19(7-5-10)14(17)18-9-11-8-12(15)2-3-13(11)16/h2-3,8,10H,4-7,9H2,1H3,(H2,17,18).
What are the key properties of N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide?
N'-[(5-bromo-2-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'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110919760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).