1-(3-propoxypiperidin-1-yl)ethanimine

C10H20N2O — CID 63173417

IUPAC1-(3-propoxypiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCCC(OCCC)C1
InChIInChI=1S/C10H20N2O/c1-3-7-13-10-5-4-6-12(8-10)9(2)11/h10-11H,3-8H2,1-2H3/b11-9+
InChIKeyBEFOBRJPNKEERQ-PKNBQFBNSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds3

About 1-(3-propoxypiperidin-1-yl)ethanimine

1-(3-propoxypiperidin-1-yl)ethanimine (PubChem CID 63173417) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3-propoxypiperidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3-propoxypiperidin-1-yl)ethanimine
PubChem CID63173417
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(3-propoxypiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCCC(OCCC)C1
InChIInChI=1S/C10H20N2O/c1-3-7-13-10-5-4-6-12(8-10)9(2)11/h10-11H,3-8H2,1-2H3/b11-9+
InChIKeyBEFOBRJPNKEERQ-PKNBQFBNSA-N
XLogP1.87
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
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 1-(3-propoxypiperidin-1-yl)ethanimine?
The IUPAC name of 1-(3-propoxypiperidin-1-yl)ethanimine (CID 63173417) is 1-(3-propoxypiperidin-1-yl)ethanimine.
What is the SMILES notation for 1-(3-propoxypiperidin-1-yl)ethanimine?
The canonical SMILES for 1-(3-propoxypiperidin-1-yl)ethanimine is [H]/N=C(\C)N1CCCC(OCCC)C1.
What is the InChIKey of 1-(3-propoxypiperidin-1-yl)ethanimine?
The InChIKey is BEFOBRJPNKEERQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-7-13-10-5-4-6-12(8-10)9(2)11/h10-11H,3-8H2,1-2H3/b11-9+.
What are the key properties of 1-(3-propoxypiperidin-1-yl)ethanimine?
1-(3-propoxypiperidin-1-yl)ethanimine has a molecular weight of 184.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxypiperidin-1-yl)ethanimine is sourced from PubChem (CID 63173417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).