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

C14H19BrN4 — CID 107279188

IUPAC2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(C3CC3)CC2)cc1Br
InChIInChI=1S/C14H19BrN4/c15-13-9-11(3-4-12(13)14(16)17)19-7-5-18(6-8-19)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H3,16,17)
InChIKeyQZNLMNGFLZNNRQ-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.02
Rot. Bonds3

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

2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 107279188) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
PubChem CID107279188
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(C3CC3)CC2)cc1Br
InChIInChI=1S/C14H19BrN4/c15-13-9-11(3-4-12(13)14(16)17)19-7-5-18(6-8-19)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H3,16,17)
InChIKeyQZNLMNGFLZNNRQ-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

2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 62947696
2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide
CID 107279256
4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 114904485
2-bromo-4-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107279080
2-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 107279407
3-bromo-4-(4-cyclopentylpiperazin-1-yl)benzenecarboximidamide
CID 82786930
2-bromo-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 107279420
2-bromo-4-(3-methylmorpholin-4-yl)benzenecarboximidamide
CID 107279128
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromobenzenecarboximidamide
CID 114893094
2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 107279116
2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 107279406
2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 63170463

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide (CID 107279188) is 2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCN(C3CC3)CC2)cc1Br.
What is the InChIKey of 2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is QZNLMNGFLZNNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c15-13-9-11(3-4-12(13)14(16)17)19-7-5-18(6-8-19)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H3,16,17).
What are the key properties of 2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
2-bromo-4-(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 2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107279188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).