1-methyl-4-prop-2-enoxypiperidine

C9H17NO — CID 59007495

IUPAC1-methyl-4-prop-2-enoxypiperidine
SMILESC=CCOC1CCN(C)CC1
InChIInChI=1S/C9H17NO/c1-3-8-11-9-4-6-10(2)7-5-9/h3,9H,1,4-8H2,2H3
InChIKeyZUUQJGNEHPQPGK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds3

About 1-methyl-4-prop-2-enoxypiperidine

1-methyl-4-prop-2-enoxypiperidine (PubChem CID 59007495) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-methyl-4-prop-2-enoxypiperidine.

Molecular Properties

Compound Name1-methyl-4-prop-2-enoxypiperidine
PubChem CID59007495
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-methyl-4-prop-2-enoxypiperidine
SMILESC=CCOC1CCN(C)CC1
InChIInChI=1S/C9H17NO/c1-3-8-11-9-4-6-10(2)7-5-9/h3,9H,1,4-8H2,2H3
InChIKeyZUUQJGNEHPQPGK-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-prop-2-enoxypiperidine 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 1-methyl-4-prop-2-enoxypiperidine?
The IUPAC name of 1-methyl-4-prop-2-enoxypiperidine (CID 59007495) is 1-methyl-4-prop-2-enoxypiperidine.
What is the SMILES notation for 1-methyl-4-prop-2-enoxypiperidine?
The canonical SMILES for 1-methyl-4-prop-2-enoxypiperidine is C=CCOC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-prop-2-enoxypiperidine?
The InChIKey is ZUUQJGNEHPQPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8-11-9-4-6-10(2)7-5-9/h3,9H,1,4-8H2,2H3.
What are the key properties of 1-methyl-4-prop-2-enoxypiperidine?
1-methyl-4-prop-2-enoxypiperidine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-enoxypiperidine is sourced from PubChem (CID 59007495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).