1-(prop-2-enoxymethyl)piperidine

C9H17NO — CID 14644958

IUPAC1-(prop-2-enoxymethyl)piperidine
SMILESC=CCOCN1CCCCC1
InChIInChI=1S/C9H17NO/c1-2-8-11-9-10-6-4-3-5-7-10/h2H,1,3-9H2
InChIKeyKEBZFLGCIUCKSY-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds4

About 1-(prop-2-enoxymethyl)piperidine

1-(prop-2-enoxymethyl)piperidine (PubChem CID 14644958) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(prop-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name1-(prop-2-enoxymethyl)piperidine
PubChem CID14644958
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(prop-2-enoxymethyl)piperidine
SMILESC=CCOCN1CCCCC1
InChIInChI=1S/C9H17NO/c1-2-8-11-9-10-6-4-3-5-7-10/h2H,1,3-9H2
InChIKeyKEBZFLGCIUCKSY-UHFFFAOYSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enoxymethyl)piperidine?
The IUPAC name of 1-(prop-2-enoxymethyl)piperidine (CID 14644958) is 1-(prop-2-enoxymethyl)piperidine.
What is the SMILES notation for 1-(prop-2-enoxymethyl)piperidine?
The canonical SMILES for 1-(prop-2-enoxymethyl)piperidine is C=CCOCN1CCCCC1.
What is the InChIKey of 1-(prop-2-enoxymethyl)piperidine?
The InChIKey is KEBZFLGCIUCKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-8-11-9-10-6-4-3-5-7-10/h2H,1,3-9H2.
What are the key properties of 1-(prop-2-enoxymethyl)piperidine?
1-(prop-2-enoxymethyl)piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enoxymethyl)piperidine is sourced from PubChem (CID 14644958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).