N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

C22H37IN4O3 — CID 111211600

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC(c1ccc(OC)c(OC)c1)N1CCOCC1)N1CCC(C)CC1.I
InChIInChI=1S/C22H36N4O3.HI/c1-17-7-9-26(10-8-17)22(23-2)24-16-19(25-11-13-29-14-12-25)18-5-6-20(27-3)21(15-18)28-4;/h5-6,15,17,19H,7-14,16H2,1-4H3,(H,23,24);1H
InChIKeyRZOUPDYGCHNSDZ-UHFFFAOYSA-N
MW532.47 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111211600) has the molecular formula C22H37IN4O3 and a molecular weight of 532.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111211600
Molecular FormulaC22H37IN4O3
Molecular Weight532.47 g/mol
Exact Mass532.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC(c1ccc(OC)c(OC)c1)N1CCOCC1)N1CCC(C)CC1.I
InChIInChI=1S/C22H36N4O3.HI/c1-17-7-9-26(10-8-17)22(23-2)24-16-19(25-11-13-29-14-12-25)18-5-6-20(27-3)21(15-18)28-4;/h5-6,15,17,19H,7-14,16H2,1-4H3,(H,23,24);1H
InChIKeyRZOUPDYGCHNSDZ-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-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-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110933783
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919679
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
CID 110919680
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318567
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 111312819
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111312923
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111313005
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111162126
4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646232
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-ethylsulfonylethyl)-2-methylguanidine;hydroiodide
CID 111312805
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111313025

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111211600) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(/NCC(c1ccc(OC)c(OC)c1)N1CCOCC1)N1CCC(C)CC1.I.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is RZOUPDYGCHNSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3.HI/c1-17-7-9-26(10-8-17)22(23-2)24-16-19(25-11-13-29-14-12-25)18-5-6-20(27-3)21(15-18)28-4;/h5-6,15,17,19H,7-14,16H2,1-4H3,(H,23,24);1H.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 532.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111211600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).