N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide

C11H21N5O — CID 159728396

IUPACN'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide
SMILES[H]/N=C(/N=C(N)N1CCOCC1)N1CCCCC1
InChIInChI=1S/C11H21N5O/c12-10(15-4-2-1-3-5-15)14-11(13)16-6-8-17-9-7-16/h1-9H2,(H3,12,13,14)
InChIKeyYRHHNILPADCEMA-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.05
Rot. Bonds

About N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide

N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide (PubChem CID 159728396) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide
PubChem CID159728396
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide
SMILES[H]/N=C(/N=C(N)N1CCOCC1)N1CCCCC1
InChIInChI=1S/C11H21N5O/c12-10(15-4-2-1-3-5-15)14-11(13)16-6-8-17-9-7-16/h1-9H2,(H3,12,13,14)
InChIKeyYRHHNILPADCEMA-UHFFFAOYSA-N
XLogP0.05
TPSA77.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide (CID 159728396) is N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide is [H]/N=C(/N=C(N)N1CCOCC1)N1CCCCC1.
What is the InChIKey of N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide?
The InChIKey is YRHHNILPADCEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c12-10(15-4-2-1-3-5-15)14-11(13)16-6-8-17-9-7-16/h1-9H2,(H3,12,13,14).
What are the key properties of N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide?
N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide has a molecular weight of 239.32 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide is sourced from PubChem (CID 159728396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).