N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide

C16H26IN3O — CID 111820723

IUPACN'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1cccc(OC(C)C/N=C(\N)N2CCCCC2)c1.I
InChIInChI=1S/C16H25N3O.HI/c1-13-7-6-8-15(11-13)20-14(2)12-18-16(17)19-9-4-3-5-10-19;/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H2,17,18);1H
InChIKeyJXVPNBGAEZOTME-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.18
Rot. Bonds4

About N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111820723) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111820723
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC NameN'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1cccc(OC(C)C/N=C(\N)N2CCCCC2)c1.I
InChIInChI=1S/C16H25N3O.HI/c1-13-7-6-8-15(11-13)20-14(2)12-18-16(17)19-9-4-3-5-10-19;/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H2,17,18);1H
InChIKeyJXVPNBGAEZOTME-UHFFFAOYSA-N
XLogP3.18
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylphenoxy)propyl]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'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111819205
N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111032037
1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111685305
N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465403
N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
CID 111820472
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
2-[2-(3-methylphenoxy)propyl]-1-phenylguanidine;hydroiodide
CID 111465350
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
ethyl 4-[[N'-[2-(3-methylphenoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111820702
4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide
CID 111465531
N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111093347
N'-[2-(3-methoxyphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111820409

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide (CID 111820723) is N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide is Cc1cccc(OC(C)C/N=C(\N)N2CCCCC2)c1.I.
What is the InChIKey of N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is JXVPNBGAEZOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.HI/c1-13-7-6-8-15(11-13)20-14(2)12-18-16(17)19-9-4-3-5-10-19;/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H2,17,18);1H.
What are the key properties of N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 403.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111820723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).