N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C25H34IN3O2 — CID 109427728

IUPACN'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(c2ccccc2)CCOCC1)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C25H33N3O2.HI/c1-26-24(28-16-12-23(13-17-28)30-22-10-6-3-7-11-22)27-20-25(14-18-29-19-15-25)21-8-4-2-5-9-21;/h2-11,23H,12-20H2,1H3,(H,26,27);1H
InChIKeySCCYKXHJRAAMAG-UHFFFAOYSA-N
MW535.47 g/mol
LogP4.47
Rot. Bonds5

About N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 109427728) has the molecular formula C25H34IN3O2 and a molecular weight of 535.47 g/mol. Its IUPAC name is N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID109427728
Molecular FormulaC25H34IN3O2
Molecular Weight535.47 g/mol
Exact Mass535.17
IUPAC NameN'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(c2ccccc2)CCOCC1)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C25H33N3O2.HI/c1-26-24(28-16-12-23(13-17-28)30-22-10-6-3-7-11-22)27-20-25(14-18-29-19-15-25)21-8-4-2-5-9-21;/h2-11,23H,12-20H2,1H3,(H,26,27);1H
InChIKeySCCYKXHJRAAMAG-UHFFFAOYSA-N
XLogP4.47
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.47
LogP ≤ 54.47
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'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)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'-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426048
4-ethoxy-N'-methyl-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111959772
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425823
N'-methyl-4-(oxan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109447822
tert-butyl N-[1-[N'-methyl-N-[(4-phenyloxan-4-yl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730604
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210174
N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426691
N,N-dimethyl-1-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 109425867
N'-methyl-N-(oxolan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427130
N'-methyl-N-(2-methyl-2-methylsulfanylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427356
methyl 1-[N'-methyl-N-[(1-phenylcyclopentyl)methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254898
N'-methyl-4-phenoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426757

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 109427728) is N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(/NCC1(c2ccccc2)CCOCC1)N1CCC(Oc2ccccc2)CC1.I.
What is the InChIKey of N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is SCCYKXHJRAAMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2.HI/c1-26-24(28-16-12-23(13-17-28)30-22-10-6-3-7-11-22)27-20-25(14-18-29-19-15-25)21-8-4-2-5-9-21;/h2-11,23H,12-20H2,1H3,(H,26,27);1H.
What are the key properties of N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 535.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-phenoxy-N-[(4-phenyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109427728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).