4-methoxy-1-prop-2-enylpiperidine

C9H17NO — CID 130715390

IUPAC4-methoxy-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(OC)CC1
InChIInChI=1S/C9H17NO/c1-3-6-10-7-4-9(11-2)5-8-10/h3,9H,1,4-8H2,2H3
InChIKeyXBHVJSJLSDFKEH-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds3

About 4-methoxy-1-prop-2-enylpiperidine

4-methoxy-1-prop-2-enylpiperidine (PubChem CID 130715390) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methoxy-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name4-methoxy-1-prop-2-enylpiperidine
PubChem CID130715390
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methoxy-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(OC)CC1
InChIInChI=1S/C9H17NO/c1-3-6-10-7-4-9(11-2)5-8-10/h3,9H,1,4-8H2,2H3
InChIKeyXBHVJSJLSDFKEH-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'}

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Related Compounds

1-(Prop-2-EN-1-YL)piperidin-4-OL
CID 12725716
Trifluoro-[3-(4-methoxypiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745712
1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine
CID 145347196
4-Methoxy-4-methyl-1-prop-2-enylpiperidine
CID 13802898
4-But-3-enoxy-1-methylpiperidine
CID 18723233
4-Ethenoxy-1-methylpiperidine
CID 20517971
1,1-Bis(prop-2-enyl)piperidin-1-ium-4-ol
CID 57064337
1-Methyl-4-prop-2-enoxypiperidine
CID 59007495
4-[(E)-but-2-enoxy]-1-methylpiperidine
CID 59007600
4-Ethenoxy-1-ethylpiperidine
CID 59825176
Methane;1-prop-2-enylpiperidin-4-ol
CID 67493558
N,N-diallyl(4-hydroxy)piperidinium bromide
CID 70246044

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-prop-2-enylpiperidine?
The IUPAC name of 4-methoxy-1-prop-2-enylpiperidine (CID 130715390) is 4-methoxy-1-prop-2-enylpiperidine.
What is the SMILES notation for 4-methoxy-1-prop-2-enylpiperidine?
The canonical SMILES for 4-methoxy-1-prop-2-enylpiperidine is C=CCN1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-1-prop-2-enylpiperidine?
The InChIKey is XBHVJSJLSDFKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-6-10-7-4-9(11-2)5-8-10/h3,9H,1,4-8H2,2H3.
What are the key properties of 4-methoxy-1-prop-2-enylpiperidine?
4-methoxy-1-prop-2-enylpiperidine 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 4-methoxy-1-prop-2-enylpiperidine is sourced from PubChem (CID 130715390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).