2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine

C21H36N4O2 — CID 111320168

IUPAC2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)c1OC)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C21H36N4O2/c1-6-22-20(24-16-21(2,3)25-13-8-7-9-14-25)23-15-17-11-10-12-18(26-4)19(17)27-5/h10-12H,6-9,13-16H2,1-5H3,(H2,22,23,24)
InChIKeyZXTFTODTLXFPPF-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.02
Rot. Bonds8

About 2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine

2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine (PubChem CID 111320168) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
PubChem CID111320168
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)c1OC)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C21H36N4O2/c1-6-22-20(24-16-21(2,3)25-13-8-7-9-14-25)23-15-17-11-10-12-18(26-4)19(17)27-5/h10-12H,6-9,13-16H2,1-5H3,(H2,22,23,24)
InChIKeyZXTFTODTLXFPPF-UHFFFAOYSA-N
XLogP3.02
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111320167
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111605560
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111315657
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320222
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111321094
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[(2-ethylphenyl)methyl]guanidine;hydroiodide
CID 111636692
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111291442
N-[5-[[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111320311
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147758
1-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111320397
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111313565
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320270

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine (CID 111320168) is 2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine is CCN/C(=N\Cc1cccc(OC)c1OC)NCC(C)(C)N1CCCCC1.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The InChIKey is ZXTFTODTLXFPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-6-22-20(24-16-21(2,3)25-13-8-7-9-14-25)23-15-17-11-10-12-18(26-4)19(17)27-5/h10-12H,6-9,13-16H2,1-5H3,(H2,22,23,24).
What are the key properties of 2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine has a molecular weight of 376.55 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111320168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).