2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide

C14H21ClN4 — CID 62502940

IUPAC2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N1CCN(CCC)CC1
InChIInChI=1S/C14H21ClN4/c1-2-6-18-7-9-19(10-8-18)12-5-3-4-11(15)13(12)14(16)17/h3-5H,2,6-10H2,1H3,(H3,16,17)
InChIKeyMBFYSIVYOVZCGN-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.16
Rot. Bonds4

About 2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide

2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 62502940) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
PubChem CID62502940
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N1CCN(CCC)CC1
InChIInChI=1S/C14H21ClN4/c1-2-6-18-7-9-19(10-8-18)12-5-3-4-11(15)13(12)14(16)17/h3-5H,2,6-10H2,1H3,(H3,16,17)
InChIKeyMBFYSIVYOVZCGN-UHFFFAOYSA-N
XLogP2.16
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.16
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-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 106836145
2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 62502937
2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide
CID 63170372
2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253606
3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide
CID 43118133
1-[2-(bromomethyl)-3-chlorophenyl]-4-propylpiperazine
CID 107079569
2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76945319
2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)benzenecarboximidamide
CID 62502771
2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 114883077
2-fluoro-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223288
2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)benzenecarboximidamide
CID 62972678
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide (CID 62502940) is 2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N1CCN(CCC)CC1.
What is the InChIKey of 2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is MBFYSIVYOVZCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-2-6-18-7-9-19(10-8-18)12-5-3-4-11(15)13(12)14(16)17/h3-5H,2,6-10H2,1H3,(H3,16,17).
What are the key properties of 2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide?
2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 280.80 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 62502940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).