2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine

C18H30N4O — CID 111415217

IUPAC2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine
SMILESC/N=C(/NCCOc1ccccc1C)NCCN1CCCCC1
InChIInChI=1S/C18H30N4O/c1-16-8-4-5-9-17(16)23-15-11-21-18(19-2)20-10-14-22-12-6-3-7-13-22/h4-5,8-9H,3,6-7,10-15H2,1-2H3,(H2,19,20,21)
InChIKeyLRPVQIFFNBIAHQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.02
Rot. Bonds7

About 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine

2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine (PubChem CID 111415217) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine
PubChem CID111415217
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine
SMILESC/N=C(/NCCOc1ccccc1C)NCCN1CCCCC1
InChIInChI=1S/C18H30N4O/c1-16-8-4-5-9-17(16)23-15-11-21-18(19-2)20-10-14-22-12-6-3-7-13-22/h4-5,8-9H,3,6-7,10-15H2,1-2H3,(H2,19,20,21)
InChIKeyLRPVQIFFNBIAHQ-UHFFFAOYSA-N
XLogP2.02
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)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

2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111277341
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide
CID 111226233
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111416135
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005928
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111217273
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111605309
1-benzyl-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110954917
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374097
1-[2-(azepan-1-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939744
1-[3-(4-methoxyphenoxy)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111415483
2-methyl-1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111005043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine (CID 111415217) is 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine is C/N=C(/NCCOc1ccccc1C)NCCN1CCCCC1.
What is the InChIKey of 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine?
The InChIKey is LRPVQIFFNBIAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-16-8-4-5-9-17(16)23-15-11-21-18(19-2)20-10-14-22-12-6-3-7-13-22/h4-5,8-9H,3,6-7,10-15H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine?
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine has a molecular weight of 318.46 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 111415217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).