1-piperidin-4-ylethanimine

C7H14N2 — CID 90802186

IUPAC1-piperidin-4-ylethanimine
SMILES[H]/N=C(\C)C1CCNCC1
InChIInChI=1S/C7H14N2/c1-6(8)7-2-4-9-5-3-7/h7-9H,2-5H2,1H3/b8-6+
InChIKeyKLOJEZWHROPOOQ-SOFGYWHQSA-N
MW126.20 g/mol
LogP1.03
Rot. Bonds1

About 1-piperidin-4-ylethanimine

1-piperidin-4-ylethanimine (PubChem CID 90802186) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-piperidin-4-ylethanimine.

Molecular Properties

Compound Name1-piperidin-4-ylethanimine
PubChem CID90802186
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-piperidin-4-ylethanimine
SMILES[H]/N=C(\C)C1CCNCC1
InChIInChI=1S/C7H14N2/c1-6(8)7-2-4-9-5-3-7/h7-9H,2-5H2,1H3/b8-6+
InChIKeyKLOJEZWHROPOOQ-SOFGYWHQSA-N
XLogP1.03
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylethanimine?
The IUPAC name of 1-piperidin-4-ylethanimine (CID 90802186) is 1-piperidin-4-ylethanimine.
What is the SMILES notation for 1-piperidin-4-ylethanimine?
The canonical SMILES for 1-piperidin-4-ylethanimine is [H]/N=C(\C)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylethanimine?
The InChIKey is KLOJEZWHROPOOQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(8)7-2-4-9-5-3-7/h7-9H,2-5H2,1H3/b8-6+.
What are the key properties of 1-piperidin-4-ylethanimine?
1-piperidin-4-ylethanimine has a molecular weight of 126.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylethanimine is sourced from PubChem (CID 90802186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).