2-piperidin-1-ylethanimidamide

C7H15N3 — CID 24703049

IUPAC2-piperidin-1-ylethanimidamide
SMILES[H]/N=C(\N)CN1CCCCC1
InChIInChI=1S/C7H15N3/c8-7(9)6-10-4-2-1-3-5-10/h1-6H2,(H3,8,9)
InChIKeySIUGISPTQIWBCP-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.41
Rot. Bonds2

About 2-piperidin-1-ylethanimidamide

2-piperidin-1-ylethanimidamide (PubChem CID 24703049) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-piperidin-1-ylethanimidamide.

Molecular Properties

Compound Name2-piperidin-1-ylethanimidamide
PubChem CID24703049
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2-piperidin-1-ylethanimidamide
SMILES[H]/N=C(\N)CN1CCCCC1
InChIInChI=1S/C7H15N3/c8-7(9)6-10-4-2-1-3-5-10/h1-6H2,(H3,8,9)
InChIKeySIUGISPTQIWBCP-UHFFFAOYSA-N
XLogP0.41
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.41
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 2-piperidin-1-ylethanimidamide?
The IUPAC name of 2-piperidin-1-ylethanimidamide (CID 24703049) is 2-piperidin-1-ylethanimidamide.
What is the SMILES notation for 2-piperidin-1-ylethanimidamide?
The canonical SMILES for 2-piperidin-1-ylethanimidamide is [H]/N=C(\N)CN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethanimidamide?
The InChIKey is SIUGISPTQIWBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c8-7(9)6-10-4-2-1-3-5-10/h1-6H2,(H3,8,9).
What are the key properties of 2-piperidin-1-ylethanimidamide?
2-piperidin-1-ylethanimidamide has a molecular weight of 141.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethanimidamide is sourced from PubChem (CID 24703049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).