3-(prop-2-enoxymethyl)piperidine

C9H17NO — CID 45075300

IUPAC3-(prop-2-enoxymethyl)piperidine
SMILESC=CCOCC1CCCNC1
InChIInChI=1S/C9H17NO/c1-2-6-11-8-9-4-3-5-10-7-9/h2,9-10H,1,3-8H2
InChIKeyKZEIVYJKLWDSDP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.19
Rot. Bonds4

About 3-(prop-2-enoxymethyl)piperidine

3-(prop-2-enoxymethyl)piperidine (PubChem CID 45075300) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(prop-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name3-(prop-2-enoxymethyl)piperidine
PubChem CID45075300
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(prop-2-enoxymethyl)piperidine
SMILESC=CCOCC1CCCNC1
InChIInChI=1S/C9H17NO/c1-2-6-11-8-9-4-3-5-10-7-9/h2,9-10H,1,3-8H2
InChIKeyKZEIVYJKLWDSDP-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
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 3-(prop-2-enoxymethyl)piperidine?
The IUPAC name of 3-(prop-2-enoxymethyl)piperidine (CID 45075300) is 3-(prop-2-enoxymethyl)piperidine.
What is the SMILES notation for 3-(prop-2-enoxymethyl)piperidine?
The canonical SMILES for 3-(prop-2-enoxymethyl)piperidine is C=CCOCC1CCCNC1.
What is the InChIKey of 3-(prop-2-enoxymethyl)piperidine?
The InChIKey is KZEIVYJKLWDSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-6-11-8-9-4-3-5-10-7-9/h2,9-10H,1,3-8H2.
What are the key properties of 3-(prop-2-enoxymethyl)piperidine?
3-(prop-2-enoxymethyl)piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoxymethyl)piperidine is sourced from PubChem (CID 45075300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).