1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine

C22H38N4O2 — CID 111370323

IUPAC1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\Cc1cccc(OCCOC)c1)NCCCN1CCCCC1C
InChIInChI=1S/C22H38N4O2/c1-4-23-22(24-12-8-14-26-13-6-5-9-19(26)2)25-18-20-10-7-11-21(17-20)28-16-15-27-3/h7,10-11,17,19H,4-6,8-9,12-16,18H2,1-3H3,(H2,23,24,25)
InChIKeyYNWXSEVZGGHUKH-UHFFFAOYSA-N
MW390.57 g/mol
LogP3.03
Rot. Bonds11

About 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine

1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111370323) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111370323
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\Cc1cccc(OCCOC)c1)NCCCN1CCCCC1C
InChIInChI=1S/C22H38N4O2/c1-4-23-22(24-12-8-14-26-13-6-5-9-19(26)2)25-18-20-10-7-11-21(17-20)28-16-15-27-3/h7,10-11,17,19H,4-6,8-9,12-16,18H2,1-3H3,(H2,23,24,25)
InChIKeyYNWXSEVZGGHUKH-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 53.03
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'}

Analyze 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine 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-[(3-methoxyphenyl)methyl]-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111249886
N-cyclopropyl-2-[3-[[[ethylamino-[3-(2-methylpiperidin-1-yl)propylamino]methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111370654
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111251225
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415402
1-ethyl-2-[[4-(2-methoxyethylamino)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371237
2-[(3-cyanophenyl)methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371321
methyl N-[4-[[[ethylamino-[3-(2-methylpiperidin-1-yl)propylamino]methylidene]amino]methyl]phenyl]carbamate
CID 111370109
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111400819
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111231769
1-ethyl-3-(2-methoxyethyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110942852
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320270
1-ethyl-3-(3-methoxypropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110973908

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine (CID 111370323) is 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine is CCN/C(=N\Cc1cccc(OCCOC)c1)NCCCN1CCCCC1C.
What is the InChIKey of 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is YNWXSEVZGGHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-4-23-22(24-12-8-14-26-13-6-5-9-19(26)2)25-18-20-10-7-11-21(17-20)28-16-15-27-3/h7,10-11,17,19H,4-6,8-9,12-16,18H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 390.57 g/mol, XLogP of 3.03, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111370323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).