5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide

C14H21ClN4 — CID 62492919

IUPAC5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C14H21ClN4/c1-10(2)18-5-7-19(8-6-18)13-4-3-11(15)9-12(13)14(16)17/h3-4,9-10H,5-8H2,1-2H3,(H3,16,17)
InChIKeyOISFDADZPMPWPY-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.15
Rot. Bonds3

About 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide

5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 62492919) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
PubChem CID62492919
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C14H21ClN4/c1-10(2)18-5-7-19(8-6-18)13-4-3-11(15)9-12(13)14(16)17/h3-4,9-10H,5-8H2,1-2H3,(H3,16,17)
InChIKeyOISFDADZPMPWPY-UHFFFAOYSA-N
XLogP2.15
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide (CID 62492919) is 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N1CCN(C(C)C)CC1.
What is the InChIKey of 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is OISFDADZPMPWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-10(2)18-5-7-19(8-6-18)13-4-3-11(15)9-12(13)14(16)17/h3-4,9-10H,5-8H2,1-2H3,(H3,16,17).
What are the key properties of 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide?
5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 280.80 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 62492919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).