4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide

C15H23ClN4 — CID 62947534

IUPAC4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(C(C)CC)CC2)cc1Cl
InChIInChI=1S/C15H23ClN4/c1-3-11(2)19-6-8-20(9-7-19)12-4-5-13(15(17)18)14(16)10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H3,17,18)
InChIKeyIOGNFPRSEUPRED-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.54
Rot. Bonds4

About 4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide

4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide (PubChem CID 62947534) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide
PubChem CID62947534
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(C(C)CC)CC2)cc1Cl
InChIInChI=1S/C15H23ClN4/c1-3-11(2)19-6-8-20(9-7-19)12-4-5-13(15(17)18)14(16)10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H3,17,18)
InChIKeyIOGNFPRSEUPRED-UHFFFAOYSA-N
XLogP2.54
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.54
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
3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide
CID 80513357
2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 81279590
4-(4-butan-2-ylpiperazin-1-yl)-2-fluorobenzenecarbothioamide
CID 115368269
2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 55153583
2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 114883773
2-chloro-4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
2-chloro-N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 76981695
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81278860
2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958478
2-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
CID 81465237
2-chloro-4-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690051

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide (CID 62947534) is 4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCN(C(C)CC)CC2)cc1Cl.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide?
The InChIKey is IOGNFPRSEUPRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-3-11(2)19-6-8-20(9-7-19)12-4-5-13(15(17)18)14(16)10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H3,17,18).
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide?
4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide has a molecular weight of 294.83 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide is sourced from PubChem (CID 62947534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).