1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine

C17H27NO2 — CID 129295706

IUPAC1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine
SMILESC=C(/C=C1/OCCO/C1=C/C)CCCN1CCCCC1
InChIInChI=1S/C17H27NO2/c1-3-16-17(20-13-12-19-16)14-15(2)8-7-11-18-9-5-4-6-10-18/h3,14H,2,4-13H2,1H3/b16-3+,17-14+
InChIKeyXPXVVXDENGMXEN-KYJALZQVSA-N
MW277.41 g/mol
LogP3.64
Rot. Bonds5

About 1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine

1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine (PubChem CID 129295706) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine.

Molecular Properties

Compound Name1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine
PubChem CID129295706
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine
SMILESC=C(/C=C1/OCCO/C1=C/C)CCCN1CCCCC1
InChIInChI=1S/C17H27NO2/c1-3-16-17(20-13-12-19-16)14-15(2)8-7-11-18-9-5-4-6-10-18/h3,14H,2,4-13H2,1H3/b16-3+,17-14+
InChIKeyXPXVVXDENGMXEN-KYJALZQVSA-N
XLogP3.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-pentaoxa-benzocyclopentadecen-15-yl)prop-2-ynyl]piperidine
CID 129801876
1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine
CID 144839997
1-[1-[3-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine
CID 69046520
2-ethyl-6,7-dimethoxy-3,4,6,7-tetrahydro-1H-isoquinoline
CID 70249858
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-ethylhex-4-enyl]pyrrolidine
CID 88234278
4-(2-Ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methanidylpiperidin-5-ide
CID 91077745
4-[3-(6-Methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine
CID 123336666
1-cyclobutyl-4-[5-(4,6-dimethyl-2H-pyran-5-yl)-2-methylhepta-2,3,4-trienylidene]piperidine
CID 123687783
1-(3-Cyclohexa-1,5-dien-1-ylpropyl)-4-[(3-ethoxy-4-methoxycyclohexa-2,4-dien-1-yl)methyl]piperazine
CID 124023008
1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine
CID 129295807
1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine
CID 129295937
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-methylhex-4-enyl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine?
The IUPAC name of 1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine (CID 129295706) is 1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine.
What is the SMILES notation for 1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine?
The canonical SMILES for 1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine is C=C(/C=C1/OCCO/C1=C/C)CCCN1CCCCC1.
What is the InChIKey of 1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine?
The InChIKey is XPXVVXDENGMXEN-KYJALZQVSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-16-17(20-13-12-19-16)14-15(2)8-7-11-18-9-5-4-6-10-18/h3,14H,2,4-13H2,1H3/b16-3+,17-14+.
What are the key properties of 1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine?
1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine has a molecular weight of 277.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine is sourced from PubChem (CID 129295706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).