3,3-dimethoxy-1-prop-2-enylpiperidine

C10H19NO2 — CID 89478978

IUPAC3,3-dimethoxy-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(OC)(OC)C1
InChIInChI=1S/C10H19NO2/c1-4-7-11-8-5-6-10(9-11,12-2)13-3/h4H,1,5-9H2,2-3H3
InChIKeyAIRVTCYRRMXDBK-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.26
Rot. Bonds4

About 3,3-dimethoxy-1-prop-2-enylpiperidine

3,3-dimethoxy-1-prop-2-enylpiperidine (PubChem CID 89478978) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,3-dimethoxy-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name3,3-dimethoxy-1-prop-2-enylpiperidine
PubChem CID89478978
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3,3-dimethoxy-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(OC)(OC)C1
InChIInChI=1S/C10H19NO2/c1-4-7-11-8-5-6-10(9-11,12-2)13-3/h4H,1,5-9H2,2-3H3
InChIKeyAIRVTCYRRMXDBK-UHFFFAOYSA-N
XLogP1.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-1-prop-2-enylpiperidine?
The IUPAC name of 3,3-dimethoxy-1-prop-2-enylpiperidine (CID 89478978) is 3,3-dimethoxy-1-prop-2-enylpiperidine.
What is the SMILES notation for 3,3-dimethoxy-1-prop-2-enylpiperidine?
The canonical SMILES for 3,3-dimethoxy-1-prop-2-enylpiperidine is C=CCN1CCCC(OC)(OC)C1.
What is the InChIKey of 3,3-dimethoxy-1-prop-2-enylpiperidine?
The InChIKey is AIRVTCYRRMXDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-11-8-5-6-10(9-11,12-2)13-3/h4H,1,5-9H2,2-3H3.
What are the key properties of 3,3-dimethoxy-1-prop-2-enylpiperidine?
3,3-dimethoxy-1-prop-2-enylpiperidine has a molecular weight of 185.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-1-prop-2-enylpiperidine is sourced from PubChem (CID 89478978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).