3-piperidin-1-ylpropanimidamide

C8H17N3 — CID 4290271

IUPAC3-piperidin-1-ylpropanimidamide
SMILES[H]/N=C(\N)CCN1CCCCC1
InChIInChI=1S/C8H17N3/c9-8(10)4-7-11-5-2-1-3-6-11/h1-7H2,(H3,9,10)
InChIKeyJFFMPMCFNAYONM-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.80
Rot. Bonds3

About 3-piperidin-1-ylpropanimidamide

3-piperidin-1-ylpropanimidamide (PubChem CID 4290271) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 3-piperidin-1-ylpropanimidamide.

Molecular Properties

Compound Name3-piperidin-1-ylpropanimidamide
PubChem CID4290271
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name3-piperidin-1-ylpropanimidamide
SMILES[H]/N=C(\N)CCN1CCCCC1
InChIInChI=1S/C8H17N3/c9-8(10)4-7-11-5-2-1-3-6-11/h1-7H2,(H3,9,10)
InChIKeyJFFMPMCFNAYONM-UHFFFAOYSA-N
XLogP0.80
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.80
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 3-piperidin-1-ylpropanimidamide?
The IUPAC name of 3-piperidin-1-ylpropanimidamide (CID 4290271) is 3-piperidin-1-ylpropanimidamide.
What is the SMILES notation for 3-piperidin-1-ylpropanimidamide?
The canonical SMILES for 3-piperidin-1-ylpropanimidamide is [H]/N=C(\N)CCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropanimidamide?
The InChIKey is JFFMPMCFNAYONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c9-8(10)4-7-11-5-2-1-3-6-11/h1-7H2,(H3,9,10).
What are the key properties of 3-piperidin-1-ylpropanimidamide?
3-piperidin-1-ylpropanimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropanimidamide is sourced from PubChem (CID 4290271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).