1-piperidin-1-ylpropan-1-imine

C8H16N2 — CID 63178583

IUPAC1-piperidin-1-ylpropan-1-imine
SMILES[H]/N=C(\CC)N1CCCCC1
InChIInChI=1S/C8H16N2/c1-2-8(9)10-6-4-3-5-7-10/h9H,2-7H2,1H3/b9-8+
InChIKeyPIXVTQLTUOHQNB-CMDGGOBGSA-N
MW140.23 g/mol
LogP1.86
Rot. Bonds1

About 1-piperidin-1-ylpropan-1-imine

1-piperidin-1-ylpropan-1-imine (PubChem CID 63178583) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-1-imine.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-1-imine
PubChem CID63178583
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-piperidin-1-ylpropan-1-imine
SMILES[H]/N=C(\CC)N1CCCCC1
InChIInChI=1S/C8H16N2/c1-2-8(9)10-6-4-3-5-7-10/h9H,2-7H2,1H3/b9-8+
InChIKeyPIXVTQLTUOHQNB-CMDGGOBGSA-N
XLogP1.86
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-piperidin-1-ylpropan-1-imine?
The IUPAC name of 1-piperidin-1-ylpropan-1-imine (CID 63178583) is 1-piperidin-1-ylpropan-1-imine.
What is the SMILES notation for 1-piperidin-1-ylpropan-1-imine?
The canonical SMILES for 1-piperidin-1-ylpropan-1-imine is [H]/N=C(\CC)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylpropan-1-imine?
The InChIKey is PIXVTQLTUOHQNB-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-8(9)10-6-4-3-5-7-10/h9H,2-7H2,1H3/b9-8+.
What are the key properties of 1-piperidin-1-ylpropan-1-imine?
1-piperidin-1-ylpropan-1-imine has a molecular weight of 140.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-1-imine is sourced from PubChem (CID 63178583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).