1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine

C21H36N4O3 — CID 109460638

IUPAC1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine
SMILESCCN/C(=N\CCCN1CCC(O)CC1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C21H36N4O3/c1-3-22-21(23-11-5-12-25-13-9-19(26)10-14-25)24-18-7-4-8-20(17-18)28-16-6-15-27-2/h4,7-8,17,19,26H,3,5-6,9-16H2,1-2H3,(H2,22,23,24)
InChIKeyDUBBCEXFNBAZGK-UHFFFAOYSA-N
MW392.54 g/mol
LogP2.33
Rot. Bonds11

About 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine

1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine (PubChem CID 109460638) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine
PubChem CID109460638
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Name1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine
SMILESCCN/C(=N\CCCN1CCC(O)CC1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C21H36N4O3/c1-3-22-21(23-11-5-12-25-13-9-19(26)10-14-25)24-18-7-4-8-20(17-18)28-16-6-15-27-2/h4,7-8,17,19,26H,3,5-6,9-16H2,1-2H3,(H2,22,23,24)
InChIKeyDUBBCEXFNBAZGK-UHFFFAOYSA-N
XLogP2.33
TPSA78.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 52.33
H-Bond Donors ≤ 53
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

1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 109461673
1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 109461576
1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine;hydroiodide
CID 109460975
1,2-diethyl-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109461002
1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 109460541
N-[3-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 109460119
1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 109460166
N-cyclohexyl-3-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]propanamide
CID 109462226
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109459912
1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 109461589
2-(2-benzylsulfinylethyl)-1-ethyl-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109461602
1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 109460219

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine?
The IUPAC name of 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine (CID 109460638) is 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine?
The canonical SMILES for 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine is CCN/C(=N\CCCN1CCC(O)CC1)Nc1cccc(OCCCOC)c1.
What is the InChIKey of 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine?
The InChIKey is DUBBCEXFNBAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-3-22-21(23-11-5-12-25-13-9-19(26)10-14-25)24-18-7-4-8-20(17-18)28-16-6-15-27-2/h4,7-8,17,19,26H,3,5-6,9-16H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine?
1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine has a molecular weight of 392.54 g/mol, XLogP of 2.33, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine is sourced from PubChem (CID 109460638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).