N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide

C12H26IN3O2 — CID 75482641

IUPACN'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(\N)N1CCC(OCCCOC)CC1.I
InChIInChI=1S/C12H25N3O2.HI/c1-3-14-12(13)15-7-5-11(6-8-15)17-10-4-9-16-2;/h11H,3-10H2,1-2H3,(H2,13,14);1H
InChIKeyZSCGMRZACUCFNJ-UHFFFAOYSA-N
MW371.26 g/mol
LogP1.46
Rot. Bonds6

About N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide

N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 75482641) has the molecular formula C12H26IN3O2 and a molecular weight of 371.26 g/mol. Its IUPAC name is N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide
PubChem CID75482641
Molecular FormulaC12H26IN3O2
Molecular Weight371.26 g/mol
Exact Mass371.11
IUPAC NameN'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(\N)N1CCC(OCCCOC)CC1.I
InChIInChI=1S/C12H25N3O2.HI/c1-3-14-12(13)15-7-5-11(6-8-15)17-10-4-9-16-2;/h11H,3-10H2,1-2H3,(H2,13,14);1H
InChIKeyZSCGMRZACUCFNJ-UHFFFAOYSA-N
XLogP1.46
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide (CID 75482641) is N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide is CC/N=C(\N)N1CCC(OCCCOC)CC1.I.
What is the InChIKey of N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is ZSCGMRZACUCFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.HI/c1-3-14-12(13)15-7-5-11(6-8-15)17-10-4-9-16-2;/h11H,3-10H2,1-2H3,(H2,13,14);1H.
What are the key properties of N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide?
N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 371.26 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-(3-methoxypropoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 75482641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).