4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide

C14H19BrN4 — CID 114904485

IUPAC4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19BrN4/c15-10-1-4-12(14(16)17)13(9-10)19-7-5-18(6-8-19)11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H3,16,17)
InChIKeySWNWSTJOTLBAHP-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.02
Rot. Bonds3

About 4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide

4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 114904485) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
PubChem CID114904485
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19BrN4/c15-10-1-4-12(14(16)17)13(9-10)19-7-5-18(6-8-19)11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H3,16,17)
InChIKeySWNWSTJOTLBAHP-UHFFFAOYSA-N
XLogP2.02
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.02
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

4-bromo-2-piperidin-1-ylbenzenecarboximidamide
CID 114904395
4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496258
4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114903960
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-bromobenzenecarboximidamide
CID 114904670
2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzenecarboximidamide
CID 114904588
2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 107279188
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromobenzenecarboximidamide
CID 114893094
4-bromo-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 114904376
4-bromo-2-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 114904446
4-bromo-2-(7,7-dimethyl-1,4-thiazepan-4-yl)benzenecarboximidamide
CID 107455465
2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 62947696
3-bromo-4-(4-cyclopentylpiperazin-1-yl)benzenecarboximidamide
CID 82786930

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide (CID 114904485) is 4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1N1CCN(C2CC2)CC1.
What is the InChIKey of 4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is SWNWSTJOTLBAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c15-10-1-4-12(14(16)17)13(9-10)19-7-5-18(6-8-19)11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H3,16,17).
What are the key properties of 4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 323.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114904485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).