3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide

C15H23ClN4 — CID 43367949

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN4/c1-2-13(11-15(17)18)19-6-8-20(9-7-19)14-5-3-4-12(16)10-14/h3-5,10,13H,2,6-9,11H2,1H3,(H3,17,18)
InChIKeyZCZZZXGWCBZIPE-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.57
Rot. Bonds5

About 3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide

3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide (PubChem CID 43367949) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide
PubChem CID43367949
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN4/c1-2-13(11-15(17)18)19-6-8-20(9-7-19)14-5-3-4-12(16)10-14/h3-5,10,13H,2,6-9,11H2,1H3,(H3,17,18)
InChIKeyZCZZZXGWCBZIPE-UHFFFAOYSA-N
XLogP2.57
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.57
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 3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide (CID 43367949) is 3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide is [H]/N=C(\N)CC(CC)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide?
The InChIKey is ZCZZZXGWCBZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-2-13(11-15(17)18)19-6-8-20(9-7-19)14-5-3-4-12(16)10-14/h3-5,10,13H,2,6-9,11H2,1H3,(H3,17,18).
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide?
3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide has a molecular weight of 294.83 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 43367949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).