3-(pent-4-enoxymethyl)piperidine

C11H21NO — CID 53409457

IUPAC3-(pent-4-enoxymethyl)piperidine
SMILESC=CCCCOCC1CCCNC1
InChIInChI=1S/C11H21NO/c1-2-3-4-8-13-10-11-6-5-7-12-9-11/h2,11-12H,1,3-10H2
InChIKeyRJIPPTSAVOVFLE-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds6

About 3-(pent-4-enoxymethyl)piperidine

3-(pent-4-enoxymethyl)piperidine (PubChem CID 53409457) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(pent-4-enoxymethyl)piperidine.

Molecular Properties

Compound Name3-(pent-4-enoxymethyl)piperidine
PubChem CID53409457
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(pent-4-enoxymethyl)piperidine
SMILESC=CCCCOCC1CCCNC1
InChIInChI=1S/C11H21NO/c1-2-3-4-8-13-10-11-6-5-7-12-9-11/h2,11-12H,1,3-10H2
InChIKeyRJIPPTSAVOVFLE-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
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'}

Analyze 3-(pent-4-enoxymethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(pent-4-enoxymethyl)piperidine?
The IUPAC name of 3-(pent-4-enoxymethyl)piperidine (CID 53409457) is 3-(pent-4-enoxymethyl)piperidine.
What is the SMILES notation for 3-(pent-4-enoxymethyl)piperidine?
The canonical SMILES for 3-(pent-4-enoxymethyl)piperidine is C=CCCCOCC1CCCNC1.
What is the InChIKey of 3-(pent-4-enoxymethyl)piperidine?
The InChIKey is RJIPPTSAVOVFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-8-13-10-11-6-5-7-12-9-11/h2,11-12H,1,3-10H2.
What are the key properties of 3-(pent-4-enoxymethyl)piperidine?
3-(pent-4-enoxymethyl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pent-4-enoxymethyl)piperidine is sourced from PubChem (CID 53409457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).