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

C20H26ClN5 — CID 111108252

IUPAC2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine
SMILESN/C(=N\CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1
InChIInChI=1S/C20H26ClN5/c21-17-6-4-9-19(16-17)26-14-12-25(13-15-26)11-5-10-23-20(22)24-18-7-2-1-3-8-18/h1-4,6-9,16H,5,10-15H2,(H3,22,23,24)
InChIKeyFJTBYZFVHHDSMP-UHFFFAOYSA-N
MW371.92 g/mol
LogP3.28
Rot. Bonds6

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

2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine (PubChem CID 111108252) has the molecular formula C20H26ClN5 and a molecular weight of 371.92 g/mol. Its IUPAC name is 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine
PubChem CID111108252
Molecular FormulaC20H26ClN5
Molecular Weight371.92 g/mol
Exact Mass371.19
IUPAC Name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine
SMILESN/C(=N\CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1
InChIInChI=1S/C20H26ClN5/c21-17-6-4-9-19(16-17)26-14-12-25(13-15-26)11-5-10-23-20(22)24-18-7-2-1-3-8-18/h1-4,6-9,16H,5,10-15H2,(H3,22,23,24)
InChIKeyFJTBYZFVHHDSMP-UHFFFAOYSA-N
XLogP3.28
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 53.28
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-methylphenyl)-2-[4-(4-phenylpiperazin-1-yl)butyl]guanidine
CID 111061905
1-(4-methylphenyl)-2-[4-(4-phenylpiperazin-1-yl)butyl]guanidine
CID 111061935
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
CID 111805444
1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110915897
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
1-(3-methoxyphenyl)-2-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine
CID 111062285
2-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111059106
1-(3-methoxyphenyl)-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine;hydroiodide
CID 111058922
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine
CID 110916862
1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059039
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine?
The IUPAC name of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine (CID 111108252) is 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine.
What is the SMILES notation for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine?
The canonical SMILES for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine is N/C(=N\CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine?
The InChIKey is FJTBYZFVHHDSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5/c21-17-6-4-9-19(16-17)26-14-12-25(13-15-26)11-5-10-23-20(22)24-18-7-2-1-3-8-18/h1-4,6-9,16H,5,10-15H2,(H3,22,23,24).
What are the key properties of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine?
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine has a molecular weight of 371.92 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine is sourced from PubChem (CID 111108252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).