N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide

C17H32IN3O2 — CID 75512877

IUPACN'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/C=C/CCN/C(=N\C)N1CCC(OCC2CCCO2)CC1.I
InChIInChI=1S/C17H31N3O2.HI/c1-3-4-5-10-19-17(18-2)20-11-8-15(9-12-20)22-14-16-7-6-13-21-16;/h3-4,15-16H,5-14H2,1-2H3,(H,18,19);1H/b4-3+;
InChIKeyXWAQSYLSFBUWQB-BJILWQEISA-N
MW437.37 g/mol
LogP2.81
Rot. Bonds6

About N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide

N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 75512877) has the molecular formula C17H32IN3O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID75512877
Molecular FormulaC17H32IN3O2
Molecular Weight437.37 g/mol
Exact Mass437.15
IUPAC NameN'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/C=C/CCN/C(=N\C)N1CCC(OCC2CCCO2)CC1.I
InChIInChI=1S/C17H31N3O2.HI/c1-3-4-5-10-19-17(18-2)20-11-8-15(9-12-20)22-14-16-7-6-13-21-16;/h3-4,15-16H,5-14H2,1-2H3,(H,18,19);1H/b4-3+;
InChIKeyXWAQSYLSFBUWQB-BJILWQEISA-N
XLogP2.81
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 52.81
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide (CID 75512877) is N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide is C/C=C/CCN/C(=N\C)N1CCC(OCC2CCCO2)CC1.I.
What is the InChIKey of N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is XWAQSYLSFBUWQB-BJILWQEISA-N. The full InChI is InChI=1S/C17H31N3O2.HI/c1-3-4-5-10-19-17(18-2)20-11-8-15(9-12-20)22-14-16-7-6-13-21-16;/h3-4,15-16H,5-14H2,1-2H3,(H,18,19);1H/b4-3+;.
What are the key properties of N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide?
N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 437.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 75512877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).