piperidine-2-carboximidamide

C6H13N3 — CID 44607831

IUPACpiperidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CCCCN1
InChIInChI=1S/C6H13N3/c7-6(8)5-3-1-2-4-9-5/h5,9H,1-4H2,(H3,7,8)
InChIKeyVUFZBKQYVPXHGQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.06
Rot. Bonds1

About piperidine-2-carboximidamide

piperidine-2-carboximidamide (PubChem CID 44607831) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is piperidine-2-carboximidamide.

Molecular Properties

Compound Namepiperidine-2-carboximidamide
PubChem CID44607831
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Namepiperidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CCCCN1
InChIInChI=1S/C6H13N3/c7-6(8)5-3-1-2-4-9-5/h5,9H,1-4H2,(H3,7,8)
InChIKeyVUFZBKQYVPXHGQ-UHFFFAOYSA-N
XLogP0.06
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.06
H-Bond Donors ≤ 53
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 piperidine-2-carboximidamide?
The IUPAC name of piperidine-2-carboximidamide (CID 44607831) is piperidine-2-carboximidamide.
What is the SMILES notation for piperidine-2-carboximidamide?
The canonical SMILES for piperidine-2-carboximidamide is [H]/N=C(\N)C1CCCCN1.
What is the InChIKey of piperidine-2-carboximidamide?
The InChIKey is VUFZBKQYVPXHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c7-6(8)5-3-1-2-4-9-5/h5,9H,1-4H2,(H3,7,8).
What are the key properties of piperidine-2-carboximidamide?
piperidine-2-carboximidamide has a molecular weight of 127.19 g/mol, XLogP of 0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2-carboximidamide is sourced from PubChem (CID 44607831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).