2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide

C14H19BrFN3O2 — CID 107536559

IUPAC2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(OCCO)CC2)c(F)c1Br
InChIInChI=1S/C14H19BrFN3O2/c15-12-10(14(17)18)1-2-11(13(12)16)19-5-3-9(4-6-19)21-8-7-20/h1-2,9,20H,3-8H2,(H3,17,18)
InChIKeyVQQIRPMOGXROPZ-UHFFFAOYSA-N
MW360.23 g/mol
LogP1.85
Rot. Bonds5

About 2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide

2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide (PubChem CID 107536559) has the molecular formula C14H19BrFN3O2 and a molecular weight of 360.23 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
PubChem CID107536559
Molecular FormulaC14H19BrFN3O2
Molecular Weight360.23 g/mol
Exact Mass359.06
IUPAC Name2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(OCCO)CC2)c(F)c1Br
InChIInChI=1S/C14H19BrFN3O2/c15-12-10(14(17)18)1-2-11(13(12)16)19-5-3-9(4-6-19)21-8-7-20/h1-2,9,20H,3-8H2,(H3,17,18)
InChIKeyVQQIRPMOGXROPZ-UHFFFAOYSA-N
XLogP1.85
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-bromo-4-[4-(dimethylamino)piperidin-1-yl]-3-fluorobenzenecarboximidamide
CID 107536335
2-bromo-3-fluoro-4-(3-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 107536352
3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 82696027
2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
CID 107536494
5-bromo-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarbothioamide
CID 114891992
2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107536715
2-bromo-3-fluoro-4-(2-methylthiomorpholin-4-yl)benzenecarboximidamide
CID 107536578
2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol
CID 82695538
2-bromo-3-fluoro-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 107536513
2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide
CID 107536735
2-bromo-3-fluoro-4-(2-propylpiperidin-1-yl)benzenecarboximidamide
CID 107536563
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82696529

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of 2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide (CID 107536559) is 2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(OCCO)CC2)c(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is VQQIRPMOGXROPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3O2/c15-12-10(14(17)18)1-2-11(13(12)16)19-5-3-9(4-6-19)21-8-7-20/h1-2,9,20H,3-8H2,(H3,17,18).
What are the key properties of 2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 360.23 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 107536559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).