N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide

C20H33IN4O — CID 111153568

IUPACN',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccccc1N1CCOCC1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C20H32N4O.HI/c1-16-12-17(2)15-24(14-16)20(21-3)22-13-18-6-4-5-7-19(18)23-8-10-25-11-9-23;/h4-7,16-17H,8-15H2,1-3H3,(H,21,22);1H
InChIKeyUYYUUEWOVLJOTM-UHFFFAOYSA-N
MW472.42 g/mol
LogP3.19
Rot. Bonds3

About N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide

N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111153568) has the molecular formula C20H33IN4O and a molecular weight of 472.42 g/mol. Its IUPAC name is N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111153568
Molecular FormulaC20H33IN4O
Molecular Weight472.42 g/mol
Exact Mass472.17
IUPAC NameN',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccccc1N1CCOCC1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C20H32N4O.HI/c1-16-12-17(2)15-24(14-16)20(21-3)22-13-18-6-4-5-7-19(18)23-8-10-25-11-9-23;/h4-7,16-17H,8-15H2,1-3H3,(H,21,22);1H
InChIKeyUYYUUEWOVLJOTM-UHFFFAOYSA-N
XLogP3.19
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;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

N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
4-(2-fluorophenyl)-N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148524
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013
N',2,2-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489888
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983986
N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111154682
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981042
2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
CID 100613829
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
CID 111218785
(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 95164617
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111387502
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111266589

Frequently Asked Questions

What is the IUPAC name of N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111153568) is N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccccc1N1CCOCC1)N1CC(C)CC(C)C1.I.
What is the InChIKey of N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is UYYUUEWOVLJOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.HI/c1-16-12-17(2)15-24(14-16)20(21-3)22-13-18-6-4-5-7-19(18)23-8-10-25-11-9-23;/h4-7,16-17H,8-15H2,1-3H3,(H,21,22);1H.
What are the key properties of N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 472.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).