2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine

C16H21NO2 — CID 116685916

IUPAC2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine
SMILESCC1CCCC(/C=C/c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C16H21NO2/c1-12-3-2-4-14(17-12)7-5-13-6-8-15-16(11-13)19-10-9-18-15/h5-8,11-12,14,17H,2-4,9-10H2,1H3/b7-5+
InChIKeyWLZCZCJMPSTVPW-FNORWQNLSA-N
MW259.35 g/mol
LogP3.00
Rot. Bonds2

About 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine

2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine (PubChem CID 116685916) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine
PubChem CID116685916
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine
SMILESCC1CCCC(/C=C/c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C16H21NO2/c1-12-3-2-4-14(17-12)7-5-13-6-8-15-16(11-13)19-10-9-18-15/h5-8,11-12,14,17H,2-4,9-10H2,1H3/b7-5+
InChIKeyWLZCZCJMPSTVPW-FNORWQNLSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethenyl]-6-methylpiperidine
CID 116685982
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine
CID 116685923
3-[(E)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894170
(2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine
CID 101274474
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl chloride
CID 95927945
2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine
CID 116685928
cyclohexanamine;2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CID 23291702
3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
CID 2776388
(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 43010826
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
CID 126791895
(E)-N-cyclopentyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 26697363
4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enal
CID 170482023

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine?
The IUPAC name of 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine (CID 116685916) is 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine.
What is the SMILES notation for 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine?
The canonical SMILES for 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine is CC1CCCC(/C=C/c2ccc3c(c2)OCCO3)N1.
What is the InChIKey of 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine?
The InChIKey is WLZCZCJMPSTVPW-FNORWQNLSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-3-2-4-14(17-12)7-5-13-6-8-15-16(11-13)19-10-9-18-15/h5-8,11-12,14,17H,2-4,9-10H2,1H3/b7-5+.
What are the key properties of 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine?
2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine has a molecular weight of 259.35 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylpiperidine is sourced from PubChem (CID 116685916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).