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

C17H28ClN5 — CID 111805444

IUPAC1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H28ClN5/c1-2-7-20-17(19)21-8-4-9-22-10-12-23(13-11-22)16-6-3-5-15(18)14-16/h3,5-6,14H,2,4,7-13H2,1H3,(H3,19,20,21)
InChIKeyGKVAOEQHKWJBRG-UHFFFAOYSA-N
MW337.90 g/mol
LogP2.17
Rot. Bonds7

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

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine (PubChem CID 111805444) has the molecular formula C17H28ClN5 and a molecular weight of 337.90 g/mol. Its IUPAC name is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
PubChem CID111805444
Molecular FormulaC17H28ClN5
Molecular Weight337.90 g/mol
Exact Mass337.20
IUPAC Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H28ClN5/c1-2-7-20-17(19)21-8-4-9-22-10-12-23(13-11-22)16-6-3-5-15(18)14-16/h3,5-6,14H,2,4,7-13H2,1H3,(H3,19,20,21)
InChIKeyGKVAOEQHKWJBRG-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-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
CID 111082413
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine
CID 111108252
(2S)-2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide;trihydrochloride
CID 119902983
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111760353
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-3-carboxamide
CID 119902990
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111062236
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111763348
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine
CID 111061999
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine?
The IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine (CID 111805444) is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine.
What is the SMILES notation for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine?
The canonical SMILES for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine is CCC/N=C(\N)NCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine?
The InChIKey is GKVAOEQHKWJBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN5/c1-2-7-20-17(19)21-8-4-9-22-10-12-23(13-11-22)16-6-3-5-15(18)14-16/h3,5-6,14H,2,4,7-13H2,1H3,(H3,19,20,21).
What are the key properties of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine?
1-[3-[4-(3-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-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine is sourced from PubChem (CID 111805444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).