N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide

C20H33IN4O — CID 111027743

IUPACN'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCOc1ccc(C(C/N=C(\N)N2CCCCC2)N2CCCCC2)cc1.I
InChIInChI=1S/C20H32N4O.HI/c1-25-18-10-8-17(9-11-18)19(23-12-4-2-5-13-23)16-22-20(21)24-14-6-3-7-15-24;/h8-11,19H,2-7,12-16H2,1H3,(H2,21,22);1H
InChIKeyOWHAXHNXAABTCB-UHFFFAOYSA-N
MW472.42 g/mol
LogP3.64
Rot. Bonds5

About N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111027743) has the molecular formula C20H33IN4O and a molecular weight of 472.42 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111027743
Molecular FormulaC20H33IN4O
Molecular Weight472.42 g/mol
Exact Mass472.17
IUPAC NameN'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCOc1ccc(C(C/N=C(\N)N2CCCCC2)N2CCCCC2)cc1.I
InChIInChI=1S/C20H32N4O.HI/c1-25-18-10-8-17(9-11-18)19(23-12-4-2-5-13-23)16-22-20(21)24-14-6-3-7-15-24;/h8-11,19H,2-7,12-16H2,1H3,(H2,21,22);1H
InChIKeyOWHAXHNXAABTCB-UHFFFAOYSA-N
XLogP3.64
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 53.64
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'}

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Related Compounds

N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide
CID 111027734
N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111027183
1-tert-butyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111027151
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 110909141
1-cyclopropyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029451
1-[2-(4-methoxyphenyl)ethyl]-2-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine
CID 52500269
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111027173
N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111087099
1-cyclopropyl-3-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 110988831
N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111027825
N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
CID 82088353

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide (CID 111027743) is N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide is COc1ccc(C(C/N=C(\N)N2CCCCC2)N2CCCCC2)cc1.I.
What is the InChIKey of N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is OWHAXHNXAABTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.HI/c1-25-18-10-8-17(9-11-18)19(23-12-4-2-5-13-23)16-22-20(21)24-14-6-3-7-15-24;/h8-11,19H,2-7,12-16H2,1H3,(H2,21,22);1H.
What are the key properties of N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 472.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111027743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).