1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

C21H44IN5O — CID 111789557

IUPAC1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCN(CCOC)CC1)NCCCN1CCCCC1C.I
InChIInChI=1S/C21H43N5O.HI/c1-4-22-21(23-11-7-13-26-12-6-5-8-19(26)2)24-18-20-9-14-25(15-10-20)16-17-27-3;/h19-20H,4-18H2,1-3H3,(H2,22,23,24);1H
InChIKeyYSWVYYUBZJDAFX-UHFFFAOYSA-N
MW509.52 g/mol
LogP2.78
Rot. Bonds10

About 1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111789557) has the molecular formula C21H44IN5O and a molecular weight of 509.52 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
PubChem CID111789557
Molecular FormulaC21H44IN5O
Molecular Weight509.52 g/mol
Exact Mass509.26
IUPAC Name1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCN(CCOC)CC1)NCCCN1CCCCC1C.I
InChIInChI=1S/C21H43N5O.HI/c1-4-22-21(23-11-7-13-26-12-6-5-8-19(26)2)24-18-20-9-14-25(15-10-20)16-17-27-3;/h19-20H,4-18H2,1-3H3,(H2,22,23,24);1H
InChIKeyYSWVYYUBZJDAFX-UHFFFAOYSA-N
XLogP2.78
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.52
LogP ≤ 52.78
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370675
1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370557
2-(cyclopropylmethyl)-1-ethyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111869440
1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111547706
1-ethyl-3-(2-methoxyethyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110941905
1-ethyl-3-(5-methoxypentyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111371594
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110940001
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]guanidine
CID 111789635
1-ethyl-2-(3-methoxypropyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110973782
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 110940002
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111371110
1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111789725

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 111789557) is 1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is CCN/C(=N\CC1CCN(CCOC)CC1)NCCCN1CCCCC1C.I.
What is the InChIKey of 1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is YSWVYYUBZJDAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N5O.HI/c1-4-22-21(23-11-7-13-26-12-6-5-8-19(26)2)24-18-20-9-14-25(15-10-20)16-17-27-3;/h19-20H,4-18H2,1-3H3,(H2,22,23,24);1H.
What are the key properties of 1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 509.52 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111789557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).