1-prop-2-enoxypiperidine

C8H15NO — CID 18615504

IUPAC1-prop-2-enoxypiperidine
SMILESC=CCON1CCCCC1
InChIInChI=1S/C8H15NO/c1-2-8-10-9-6-4-3-5-7-9/h2H,1,3-8H2
InChIKeyKICAWDUXVJXBKH-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.59
Rot. Bonds3

About 1-prop-2-enoxypiperidine

1-prop-2-enoxypiperidine (PubChem CID 18615504) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-prop-2-enoxypiperidine.

Molecular Properties

Compound Name1-prop-2-enoxypiperidine
PubChem CID18615504
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-prop-2-enoxypiperidine
SMILESC=CCON1CCCCC1
InChIInChI=1S/C8H15NO/c1-2-8-10-9-6-4-3-5-7-9/h2H,1,3-8H2
InChIKeyKICAWDUXVJXBKH-UHFFFAOYSA-N
XLogP1.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxypiperidine?
The IUPAC name of 1-prop-2-enoxypiperidine (CID 18615504) is 1-prop-2-enoxypiperidine.
What is the SMILES notation for 1-prop-2-enoxypiperidine?
The canonical SMILES for 1-prop-2-enoxypiperidine is C=CCON1CCCCC1.
What is the InChIKey of 1-prop-2-enoxypiperidine?
The InChIKey is KICAWDUXVJXBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-8-10-9-6-4-3-5-7-9/h2H,1,3-8H2.
What are the key properties of 1-prop-2-enoxypiperidine?
1-prop-2-enoxypiperidine has a molecular weight of 141.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxypiperidine is sourced from PubChem (CID 18615504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).