N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide

C11H23N3O2 — CID 110018616

IUPACN'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCCOCCO)N1CCCCC1
InChIInChI=1S/C11H23N3O2/c12-11(14-6-2-1-3-7-14)13-5-4-9-16-10-8-15/h15H,1-10H2,(H2,12,13)
InChIKeyMNUDUPCLWIRQIR-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.19
Rot. Bonds6

About N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide

N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide (PubChem CID 110018616) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide
PubChem CID110018616
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCCOCCO)N1CCCCC1
InChIInChI=1S/C11H23N3O2/c12-11(14-6-2-1-3-7-14)13-5-4-9-16-10-8-15/h15H,1-10H2,(H2,12,13)
InChIKeyMNUDUPCLWIRQIR-UHFFFAOYSA-N
XLogP0.19
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
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'}

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Related Compounds

N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111025862
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]azepane-1-carboximidamide
CID 99849009
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
N'-(4-cyclopentylbutyl)piperidine-1-carboximidamide
CID 111814768
N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 110018572
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
N'-propylazocane-1-carboximidamide
CID 62361040
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
ethyl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate
CID 111025670

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide (CID 110018616) is N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide is N/C(=N\CCCOCCO)N1CCCCC1.
What is the InChIKey of N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide?
The InChIKey is MNUDUPCLWIRQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c12-11(14-6-2-1-3-7-14)13-5-4-9-16-10-8-15/h15H,1-10H2,(H2,12,13).
What are the key properties of N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide?
N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide has a molecular weight of 229.32 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 110018616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).