2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide

C15H23ClN4 — CID 63092167

IUPAC2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H23ClN4/c1-15(2,3)20-8-6-19(7-9-20)13-10-11(16)4-5-12(13)14(17)18/h4-5,10H,6-9H2,1-3H3,(H3,17,18)
InChIKeyZTBMXCWCDWXDAV-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.54
Rot. Bonds2

About 2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide

2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide (PubChem CID 63092167) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide
PubChem CID63092167
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H23ClN4/c1-15(2,3)20-8-6-19(7-9-20)13-10-11(16)4-5-12(13)14(17)18/h4-5,10H,6-9H2,1-3H3,(H3,17,18)
InChIKeyZTBMXCWCDWXDAV-UHFFFAOYSA-N
XLogP2.54
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide
CID 81300125
2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide
CID 63094202
4-chloro-2-(4-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 81097859
4-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)benzenecarboximidamide
CID 63611102
4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
CID 102744111
4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
CID 61433267
4-chloro-2-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 63094021
4-chloro-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625770
5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 62492919
4-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66394053
4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417643
2-(azepan-1-yl)-4-methylbenzenecarboximidamide
CID 55057394

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide (CID 63092167) is 2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide?
The InChIKey is ZTBMXCWCDWXDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-15(2,3)20-8-6-19(7-9-20)13-10-11(16)4-5-12(13)14(17)18/h4-5,10H,6-9H2,1-3H3,(H3,17,18).
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide?
2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide has a molecular weight of 294.83 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide is sourced from PubChem (CID 63092167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).