3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide

C16H26N4 — CID 83967856

IUPAC3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCN(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C16H26N4/c1-13(2)14-3-5-15(6-4-14)20-11-9-19(10-12-20)8-7-16(17)18/h3-6,13H,7-12H2,1-2H3,(H3,17,18)
InChIKeyOSHLHQCLBSYSPQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.26
Rot. Bonds5

About 3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide

3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide (PubChem CID 83967856) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound Name3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide
PubChem CID83967856
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCN(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C16H26N4/c1-13(2)14-3-5-15(6-4-14)20-11-9-19(10-12-20)8-7-16(17)18/h3-6,13H,7-12H2,1-2H3,(H3,17,18)
InChIKeyOSHLHQCLBSYSPQ-UHFFFAOYSA-N
XLogP2.26
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide
CID 43118133
3-(4-methylpiperazin-1-yl)propanimidamide
CID 24709973
1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
CID 158500114
3-(4-benzylpiperazin-1-yl)propanimidamide
CID 24689819
1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 1375687
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81278860
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223259
(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol
CID 107223590
1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 62777793
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24705538
4-(4-propylpiperazin-1-yl)butanimidamide
CID 24694384

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide?
The IUPAC name of 3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide (CID 83967856) is 3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for 3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for 3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide is [H]/N=C(\N)CCN1CCN(c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide?
The InChIKey is OSHLHQCLBSYSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13(2)14-3-5-15(6-4-14)20-11-9-19(10-12-20)8-7-16(17)18/h3-6,13H,7-12H2,1-2H3,(H3,17,18).
What are the key properties of 3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide?
3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide has a molecular weight of 274.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 83967856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).