N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C15H31IN4O — CID 86778572

IUPACN'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOC1CCN(CC/N=C(\N)N2CCCC(C)C2)CC1.I
InChIInChI=1S/C15H30N4O.HI/c1-13-4-3-8-19(12-13)15(16)17-7-11-18-9-5-14(20-2)6-10-18;/h13-14H,3-12H2,1-2H3,(H2,16,17);1H
InChIKeyRTFXZLCDCQTNDL-UHFFFAOYSA-N
MW410.34 g/mol
LogP1.76
Rot. Bonds4

About N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 86778572) has the molecular formula C15H31IN4O and a molecular weight of 410.34 g/mol. Its IUPAC name is N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID86778572
Molecular FormulaC15H31IN4O
Molecular Weight410.34 g/mol
Exact Mass410.15
IUPAC NameN'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOC1CCN(CC/N=C(\N)N2CCCC(C)C2)CC1.I
InChIInChI=1S/C15H30N4O.HI/c1-13-4-3-8-19(12-13)15(16)17-7-11-18-9-5-14(20-2)6-10-18;/h13-14H,3-12H2,1-2H3,(H2,16,17);1H
InChIKeyRTFXZLCDCQTNDL-UHFFFAOYSA-N
XLogP1.76
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 51.76
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-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide
CID 153709113
N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide
CID 154012545
N-[amino-(4-ethoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride
CID 162331259
N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide;hydrochloride
CID 162337473
N'-amino-N-[amino-(4-methoxypiperidin-1-yl)methylidene]-3-methylpiperidine-1-carboximidamide
CID 173714175
N'-(4-methoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide
CID 176518461
N'-(4-ethoxypiperidine-1-carboximidoyl)-3-methylpiperidine-1-carboximidamide
CID 176518471
N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 86778573
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
(3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 96561201
(3S)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 96561202
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-(3-methoxypropoxy)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109507300

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 86778572) is N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is COC1CCN(CC/N=C(\N)N2CCCC(C)C2)CC1.I.
What is the InChIKey of N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is RTFXZLCDCQTNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.HI/c1-13-4-3-8-19(12-13)15(16)17-7-11-18-9-5-14(20-2)6-10-18;/h13-14H,3-12H2,1-2H3,(H2,16,17);1H.
What are the key properties of N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 410.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 86778572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).