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

C21H36N6O — CID 111061757

IUPAC1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
SMILESCC(C/N=C(\N)NCCCN1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H36N6O/c1-19(26-10-12-27(13-11-26)20-6-3-2-4-7-20)18-24-21(22)23-8-5-9-25-14-16-28-17-15-25/h2-4,6-7,19H,5,8-18H2,1H3,(H3,22,23,24)
InChIKeyHDNDQMTXNIVFPI-UHFFFAOYSA-N
MW388.56 g/mol
LogP0.82
Rot. Bonds8

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

1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine (PubChem CID 111061757) has the molecular formula C21H36N6O and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
PubChem CID111061757
Molecular FormulaC21H36N6O
Molecular Weight388.56 g/mol
Exact Mass388.30
IUPAC Name1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
SMILESCC(C/N=C(\N)NCCCN1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H36N6O/c1-19(26-10-12-27(13-11-26)20-6-3-2-4-7-20)18-24-21(22)23-8-5-9-25-14-16-28-17-15-25/h2-4,6-7,19H,5,8-18H2,1H3,(H3,22,23,24)
InChIKeyHDNDQMTXNIVFPI-UHFFFAOYSA-N
XLogP0.82
TPSA69.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056058
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111021240
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111067792
2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056428
2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111799936
2-[2-(diethylamino)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111029708
1-(3-methylbutyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059029
2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111055279
2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111660241
1-(2-morpholin-4-ylethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]thiourea
CID 43076858
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111062236
2-[2-(4-methoxyphenoxy)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111801288

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine (CID 111061757) is 1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine is CC(C/N=C(\N)NCCCN1CCOCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine?
The InChIKey is HDNDQMTXNIVFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O/c1-19(26-10-12-27(13-11-26)20-6-3-2-4-7-20)18-24-21(22)23-8-5-9-25-14-16-28-17-15-25/h2-4,6-7,19H,5,8-18H2,1H3,(H3,22,23,24).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine?
1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine has a molecular weight of 388.56 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine is sourced from PubChem (CID 111061757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).