2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine

C14H25NO2 — CID 57372841

IUPAC2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine
SMILESC=CCC1CCCC(CCC2OCCCO2)N1
InChIInChI=1S/C14H25NO2/c1-2-5-12-6-3-7-13(15-12)8-9-14-16-10-4-11-17-14/h2,12-15H,1,3-11H2
InChIKeyHTYNJRRMWPVLGM-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.62
Rot. Bonds5

About 2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine

2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine (PubChem CID 57372841) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine.

Molecular Properties

Compound Name2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine
PubChem CID57372841
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine
SMILESC=CCC1CCCC(CCC2OCCCO2)N1
InChIInChI=1S/C14H25NO2/c1-2-5-12-6-3-7-13(15-12)8-9-14-16-10-4-11-17-14/h2,12-15H,1,3-11H2
InChIKeyHTYNJRRMWPVLGM-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine?
The IUPAC name of 2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine (CID 57372841) is 2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine.
What is the SMILES notation for 2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine?
The canonical SMILES for 2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine is C=CCC1CCCC(CCC2OCCCO2)N1.
What is the InChIKey of 2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine?
The InChIKey is HTYNJRRMWPVLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-5-12-6-3-7-13(15-12)8-9-14-16-10-4-11-17-14/h2,12-15H,1,3-11H2.
What are the key properties of 2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine?
2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine has a molecular weight of 239.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine is sourced from PubChem (CID 57372841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).