1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine

C18H31NO2 — CID 143221331

IUPAC1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine
SMILESCCCC1CCN(CC/C(C)=C/C=C2\COCCO2)CC1
InChIInChI=1S/C18H31NO2/c1-3-4-17-8-11-19(12-9-17)10-7-16(2)5-6-18-15-20-13-14-21-18/h5-6,17H,3-4,7-15H2,1-2H3/b16-5+,18-6+
InChIKeyAZPYXTQBSWIGRL-ZNYRDBRMSA-N
MW293.45 g/mol
LogP3.77
Rot. Bonds6

About 1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine

1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine (PubChem CID 143221331) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine.

Molecular Properties

Compound Name1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine
PubChem CID143221331
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine
SMILESCCCC1CCN(CC/C(C)=C/C=C2\COCCO2)CC1
InChIInChI=1S/C18H31NO2/c1-3-4-17-8-11-19(12-9-17)10-7-16(2)5-6-18-15-20-13-14-21-18/h5-6,17H,3-4,7-15H2,1-2H3/b16-5+,18-6+
InChIKeyAZPYXTQBSWIGRL-ZNYRDBRMSA-N
XLogP3.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine?
The IUPAC name of 1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine (CID 143221331) is 1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine.
What is the SMILES notation for 1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine?
The canonical SMILES for 1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine is CCCC1CCN(CC/C(C)=C/C=C2\COCCO2)CC1.
What is the InChIKey of 1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine?
The InChIKey is AZPYXTQBSWIGRL-ZNYRDBRMSA-N. The full InChI is InChI=1S/C18H31NO2/c1-3-4-17-8-11-19(12-9-17)10-7-16(2)5-6-18-15-20-13-14-21-18/h5-6,17H,3-4,7-15H2,1-2H3/b16-5+,18-6+.
What are the key properties of 1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine?
1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine has a molecular weight of 293.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E,5E)-5-(1,4-dioxan-2-ylidene)-3-methylpent-3-enyl]-4-propylpiperidine is sourced from PubChem (CID 143221331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).