4-methoxy-4-prop-2-enylpiperidine

C9H17NO — CID 91115657

IUPAC4-methoxy-4-prop-2-enylpiperidine
SMILESC=CCC1(OC)CCNCC1
InChIInChI=1S/C9H17NO/c1-3-4-9(11-2)5-7-10-8-6-9/h3,10H,1,4-8H2,2H3
InChIKeyPCAZKCHUEYUJDX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

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

4-methoxy-4-prop-2-enylpiperidine (PubChem CID 91115657) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methoxy-4-prop-2-enylpiperidine.

Molecular Properties

Compound Name4-methoxy-4-prop-2-enylpiperidine
PubChem CID91115657
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methoxy-4-prop-2-enylpiperidine
SMILESC=CCC1(OC)CCNCC1
InChIInChI=1S/C9H17NO/c1-3-4-9(11-2)5-7-10-8-6-9/h3,10H,1,4-8H2,2H3
InChIKeyPCAZKCHUEYUJDX-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Prop-2-en-1-yl)piperidin-4-ol
CID 1504802
2,2-Bis(prop-2-enyl)morpholine
CID 21271343
1-Oxa-8-azaspiro[4.5]dec-2-ene
CID 57124453
2-Ethyl-2-prop-2-enylmorpholine
CID 70214828
4-Methoxy-4-(2-methylprop-2-en-1-yl)piperidine
CID 89141975
4-But-3-enyl-4-(3-methylbutan-2-yloxy)piperidine
CID 91487037
(4-Prop-2-enylpiperidin-4-yl) acetate
CID 123378499
(3R,4S)-3-ethenyl-4-methoxypiperidine
CID 129271196
(2R)-2-ethyl-2-prop-2-enylmorpholine
CID 146327256
4-[(Z)-4-methoxybut-1-enyl]piperidine
CID 164061158
Azane;2-ethyl-2-prop-2-enylmorpholine
CID 174744025
1-Methyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7200749

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-prop-2-enylpiperidine?
The IUPAC name of 4-methoxy-4-prop-2-enylpiperidine (CID 91115657) is 4-methoxy-4-prop-2-enylpiperidine.
What is the SMILES notation for 4-methoxy-4-prop-2-enylpiperidine?
The canonical SMILES for 4-methoxy-4-prop-2-enylpiperidine is C=CCC1(OC)CCNCC1.
What is the InChIKey of 4-methoxy-4-prop-2-enylpiperidine?
The InChIKey is PCAZKCHUEYUJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-9(11-2)5-7-10-8-6-9/h3,10H,1,4-8H2,2H3.
What are the key properties of 4-methoxy-4-prop-2-enylpiperidine?
4-methoxy-4-prop-2-enylpiperidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-prop-2-enylpiperidine is sourced from PubChem (CID 91115657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).