1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine

C16H26FN5 — CID 111061999

IUPAC1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN5/c1-2-7-19-16(18)20-8-9-21-10-12-22(13-11-21)15-5-3-14(17)4-6-15/h3-6H,2,7-13H2,1H3,(H3,18,19,20)
InChIKeyMHZSLHLYOVRNOB-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.26
Rot. Bonds6

About 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine

1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine (PubChem CID 111061999) has the molecular formula C16H26FN5 and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine
PubChem CID111061999
Molecular FormulaC16H26FN5
Molecular Weight307.42 g/mol
Exact Mass307.22
IUPAC Name1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN5/c1-2-7-19-16(18)20-8-9-21-10-12-22(13-11-21)15-5-3-14(17)4-6-15/h3-6H,2,7-13H2,1H3,(H3,18,19,20)
InChIKeyMHZSLHLYOVRNOB-UHFFFAOYSA-N
XLogP1.26
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.26
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

1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-propylguanidine
CID 111805956
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111057246
1-ethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188346
1-butyl-2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]guanidine;hydroiodide
CID 111035074
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(2-methoxyphenyl)guanidine
CID 111061989
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
CID 111805444
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111062051
2-(4-aminophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 119902192
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
CID 111082413
2-(3-ethoxypropyl)-1-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111224214
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine?
The IUPAC name of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine (CID 111061999) is 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine?
The canonical SMILES for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine is CCC/N=C(\N)NCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine?
The InChIKey is MHZSLHLYOVRNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN5/c1-2-7-19-16(18)20-8-9-21-10-12-22(13-11-21)15-5-3-14(17)4-6-15/h3-6H,2,7-13H2,1H3,(H3,18,19,20).
What are the key properties of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine?
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine has a molecular weight of 307.42 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine is sourced from PubChem (CID 111061999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).