3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide

C16H26N4 — CID 64538720

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN1CCN(C)C(CC)C1)c1ccccc1
InChIInChI=1S/C16H26N4/c1-3-14-11-20(10-9-19(14)2)12-15(16(17)18)13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H3,17,18)
InChIKeyBKPPDVFDSLNUFH-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.73
Rot. Bonds5

About 3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide

3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide (PubChem CID 64538720) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide
PubChem CID64538720
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN1CCN(C)C(CC)C1)c1ccccc1
InChIInChI=1S/C16H26N4/c1-3-14-11-20(10-9-19(14)2)12-15(16(17)18)13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H3,17,18)
InChIKeyBKPPDVFDSLNUFH-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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

3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide
CID 64536264
3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide
CID 79188347
3-(3-ethyl-4-methylpiperazin-1-yl)-3-phenylpropanimidamide
CID 63610075
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77000776
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropanimidamide
CID 79928340
(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 103934660
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483551
3-(dibutylamino)-2-phenylpropanimidamide
CID 64537683
1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol
CID 116695850
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 63611052
2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide
CID 64538119
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-phenylpropanethioamide
CID 79166415

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide (CID 64538720) is 3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide is [H]/N=C(\N)C(CN1CCN(C)C(CC)C1)c1ccccc1.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide?
The InChIKey is BKPPDVFDSLNUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-14-11-20(10-9-19(14)2)12-15(16(17)18)13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H3,17,18).
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide?
3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide has a molecular weight of 274.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide is sourced from PubChem (CID 64538720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).