1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine

C22H31N5 — CID 111059039

IUPAC1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
SMILESN/C(=N\CCCN1CCN(c2ccccc2)CC1)NCCc1ccccc1
InChIInChI=1S/C22H31N5/c23-22(25-14-12-20-8-3-1-4-9-20)24-13-7-15-26-16-18-27(19-17-26)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H3,23,24,25)
InChIKeyNJLDJRGSZHDXMI-UHFFFAOYSA-N
MW365.53 g/mol
LogP2.35
Rot. Bonds8

About 1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine

1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine (PubChem CID 111059039) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is 1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
PubChem CID111059039
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC Name1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
SMILESN/C(=N\CCCN1CCN(c2ccccc2)CC1)NCCc1ccccc1
InChIInChI=1S/C22H31N5/c23-22(25-14-12-20-8-3-1-4-9-20)24-13-7-15-26-16-18-27(19-17-26)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H3,23,24,25)
InChIKeyNJLDJRGSZHDXMI-UHFFFAOYSA-N
XLogP2.35
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 52.35
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

2-[3-(4-benzylpiperazin-1-yl)propyl]-1-(2-phenylethyl)guanidine
CID 111059119
1-(2-phenylethyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034753
1-(3-methylbutyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059029
2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111061937
2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111061951
2-methyl-1-(2-phenylethyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111134130
1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110926864
1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059033
2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine
CID 111069794
2-(3-morpholin-4-ylpropyl)-1-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 111068945
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111074310

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine?
The IUPAC name of 1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine (CID 111059039) is 1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine?
The canonical SMILES for 1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine is N/C(=N\CCCN1CCN(c2ccccc2)CC1)NCCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine?
The InChIKey is NJLDJRGSZHDXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c23-22(25-14-12-20-8-3-1-4-9-20)24-13-7-15-26-16-18-27(19-17-26)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H3,23,24,25).
What are the key properties of 1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine?
1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine has a molecular weight of 365.53 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine is sourced from PubChem (CID 111059039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).