2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine

C22H32N6 — CID 111061951

IUPAC2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CCCCN1CCN(c2ccccc2)CC1)NCCc1ccccn1
InChIInChI=1S/C22H32N6/c23-22(26-14-11-20-8-4-5-12-24-20)25-13-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-10,12H,6-7,11,13-19H2,(H3,23,25,26)
InChIKeyRNISZVSEEIVNDW-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.13
Rot. Bonds9

About 2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111061951) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111061951
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CCCCN1CCN(c2ccccc2)CC1)NCCc1ccccn1
InChIInChI=1S/C22H32N6/c23-22(26-14-11-20-8-4-5-12-24-20)25-13-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-10,12H,6-7,11,13-19H2,(H3,23,25,26)
InChIKeyRNISZVSEEIVNDW-UHFFFAOYSA-N
XLogP2.13
TPSA69.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111059887
1-(2-pyridin-2-ylethyl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111043415
1-(2-pyridin-2-ylethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111062124
1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059039
2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111061937
2-methyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192249
1-(3-methylbutyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059029
2-(4-phenylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 42859124
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111810662
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111040718
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111056945

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111061951) is 2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine is N/C(=N\CCCCN1CCN(c2ccccc2)CC1)NCCc1ccccn1.
What is the InChIKey of 2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is RNISZVSEEIVNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c23-22(26-14-11-20-8-4-5-12-24-20)25-13-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-10,12H,6-7,11,13-19H2,(H3,23,25,26).
What are the key properties of 2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 380.54 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111061951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).