1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine

C24H36N4O4 — CID 111757268

IUPAC1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccco1)N1CCCCC1)NCC(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H36N4O4/c1-4-25-24(27-17-20(29)18-10-11-22(30-2)23(15-18)31-3)26-16-19(21-9-8-14-32-21)28-12-6-5-7-13-28/h8-11,14-15,19-20,29H,4-7,12-13,16-17H2,1-3H3,(H2,25,26,27)
InChIKeyWSPVBDCRAUHVSX-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.11
Rot. Bonds10

About 1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine

1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine (PubChem CID 111757268) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
PubChem CID111757268
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccco1)N1CCCCC1)NCC(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H36N4O4/c1-4-25-24(27-17-20(29)18-10-11-22(30-2)23(15-18)31-3)26-16-19(21-9-8-14-32-21)28-12-6-5-7-13-28/h8-11,14-15,19-20,29H,4-7,12-13,16-17H2,1-3H3,(H2,25,26,27)
InChIKeyWSPVBDCRAUHVSX-UHFFFAOYSA-N
XLogP3.11
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]guanidine
CID 111008363
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]guanidine
CID 109491107
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111200476
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111322883
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine
CID 110941478
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]guanidine
CID 111303729
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111304516
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]guanidine
CID 111007413
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111765803
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111304033
methyl 5-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methoxybenzoate
CID 111304695
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981880

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine (CID 111757268) is 1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine is CCN/C(=N\CC(c1ccco1)N1CCCCC1)NCC(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
The InChIKey is WSPVBDCRAUHVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-4-25-24(27-17-20(29)18-10-11-22(30-2)23(15-18)31-3)26-16-19(21-9-8-14-32-21)28-12-6-5-7-13-28/h8-11,14-15,19-20,29H,4-7,12-13,16-17H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine?
1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine has a molecular weight of 444.58 g/mol, XLogP of 3.11, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine is sourced from PubChem (CID 111757268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).