5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide

C14H20BrN3O — CID 114893352

IUPAC5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1OCC1CCCCN1C
InChIInChI=1S/C14H20BrN3O/c1-18-7-3-2-4-11(18)9-19-13-6-5-10(15)8-12(13)14(16)17/h5-6,8,11H,2-4,7,9H2,1H3,(H3,16,17)
InChIKeyHHLAMBJESJWIEX-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.60
Rot. Bonds4

About 5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide

5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide (PubChem CID 114893352) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
PubChem CID114893352
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1OCC1CCCCN1C
InChIInChI=1S/C14H20BrN3O/c1-18-7-3-2-4-11(18)9-19-13-6-5-10(15)8-12(13)14(16)17/h5-6,8,11H,2-4,7,9H2,1H3,(H3,16,17)
InChIKeyHHLAMBJESJWIEX-UHFFFAOYSA-N
XLogP2.60
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 107930849
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 81302746
4-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 114903767
2-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912535
5-bromo-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzenecarbothioamide
CID 114892254
3-bromo-4-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 82805149
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)benzenecarboximidamide
CID 114893045
3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912530
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide (CID 114893352) is 5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1OCC1CCCCN1C.
What is the InChIKey of 5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
The InChIKey is HHLAMBJESJWIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18-7-3-2-4-11(18)9-19-13-6-5-10(15)8-12(13)14(16)17/h5-6,8,11H,2-4,7,9H2,1H3,(H3,16,17).
What are the key properties of 5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide?
5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide has a molecular weight of 326.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 114893352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).