1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine

C17H28ClN5 — CID 111082413

IUPAC1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H28ClN5/c1-2-8-20-17(19)21-9-5-10-22-11-13-23(14-12-22)16-7-4-3-6-15(16)18/h3-4,6-7H,2,5,8-14H2,1H3,(H3,19,20,21)
InChIKeyKUQSHVDYVRAZTA-UHFFFAOYSA-N
MW337.90 g/mol
LogP2.17
Rot. Bonds7

About 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine

1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine (PubChem CID 111082413) has the molecular formula C17H28ClN5 and a molecular weight of 337.90 g/mol. Its IUPAC name is 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
PubChem CID111082413
Molecular FormulaC17H28ClN5
Molecular Weight337.90 g/mol
Exact Mass337.20
IUPAC Name1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H28ClN5/c1-2-8-20-17(19)21-9-5-10-22-11-13-23(14-12-22)16-7-4-3-6-15(16)18/h3-4,6-7H,2,5,8-14H2,1H3,(H3,19,20,21)
InChIKeyKUQSHVDYVRAZTA-UHFFFAOYSA-N
XLogP2.17
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
CID 111805444
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111082428
2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110926864
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-propylguanidine
CID 111805956
2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide
CID 119902706
4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide
CID 62361052
2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)guanidine
CID 111082407
2-[4-(4-benzylpiperazin-1-yl)butyl]-1-butylguanidine;hydroiodide
CID 111066778
1-ethyl-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-propylguanidine;hydroiodide
CID 111763432
1-butyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111043370
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110968060
1-[2-(4-benzylpiperazin-1-yl)ethyl]-2-butylguanidine
CID 111029614

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine?
The IUPAC name of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine (CID 111082413) is 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine.
What is the SMILES notation for 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine?
The canonical SMILES for 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine is CCC/N=C(\N)NCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine?
The InChIKey is KUQSHVDYVRAZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN5/c1-2-8-20-17(19)21-9-5-10-22-11-13-23(14-12-22)16-7-4-3-6-15(16)18/h3-4,6-7H,2,5,8-14H2,1H3,(H3,19,20,21).
What are the key properties of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine?
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine has a molecular weight of 337.90 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine is sourced from PubChem (CID 111082413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).