4-bromo-2-piperidin-1-ylbenzenecarboximidamide

C12H16BrN3 — CID 114904395

IUPAC4-bromo-2-piperidin-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N1CCCCC1
InChIInChI=1S/C12H16BrN3/c13-9-4-5-10(12(14)15)11(8-9)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H3,14,15)
InChIKeyUTANKCORYGYPQB-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.72
Rot. Bonds2

About 4-bromo-2-piperidin-1-ylbenzenecarboximidamide

4-bromo-2-piperidin-1-ylbenzenecarboximidamide (PubChem CID 114904395) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 4-bromo-2-piperidin-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-piperidin-1-ylbenzenecarboximidamide
PubChem CID114904395
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name4-bromo-2-piperidin-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N1CCCCC1
InChIInChI=1S/C12H16BrN3/c13-9-4-5-10(12(14)15)11(8-9)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H3,14,15)
InChIKeyUTANKCORYGYPQB-UHFFFAOYSA-N
XLogP2.72
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzenecarboximidamide
CID 114904588
4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 114904485
2-(azocan-1-yl)-4-bromobenzenecarbothioamide
CID 114902730
2-(azepan-1-yl)-4-methylbenzenecarboximidamide
CID 55057394
4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496258
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-bromobenzenecarboximidamide
CID 114904670
2-(azocan-1-yl)benzenecarboximidamide
CID 28801457
4-bromo-2-(7,7-dimethyl-1,4-thiazepan-4-yl)benzenecarboximidamide
CID 107455465
4-bromo-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 114904376
4-bromo-2-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 114904446
2-(8-azaspiro[4.5]decan-8-yl)-5-bromobenzenecarboximidamide
CID 114893032
4-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)benzenecarboximidamide
CID 114904625

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-piperidin-1-ylbenzenecarboximidamide?
The IUPAC name of 4-bromo-2-piperidin-1-ylbenzenecarboximidamide (CID 114904395) is 4-bromo-2-piperidin-1-ylbenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-piperidin-1-ylbenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-piperidin-1-ylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1N1CCCCC1.
What is the InChIKey of 4-bromo-2-piperidin-1-ylbenzenecarboximidamide?
The InChIKey is UTANKCORYGYPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c13-9-4-5-10(12(14)15)11(8-9)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H3,14,15).
What are the key properties of 4-bromo-2-piperidin-1-ylbenzenecarboximidamide?
4-bromo-2-piperidin-1-ylbenzenecarboximidamide has a molecular weight of 282.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-piperidin-1-ylbenzenecarboximidamide is sourced from PubChem (CID 114904395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).